A0A087WYY5_HUMAN Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A087WYY5, Species HUMAN (Homo sapiens, Human), Gene PPP1CC, Length 140 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.3Very low71Confident230 Ų230106.3 Ų106.3100%1.13357%0.57SS**  04.20-75.6171.776.900113.2
2A39.8Very low73.2Confident90 Ų9097.4 Ų97.474%0.74452%0.523SS*.  trans-96-4.8-176.600000115.6
3D48.3Very low75.1Confident163 Ų16390.6 Ų90.687%0.87249%0.486SS*.SBendtrans-102.4-0.5-174.2-90.2-33.7000115.2
4L49.3Very low76.7Confident64 Ų6492.4 Ų92.434%0.33549%0.49SS..SBendtrans-85.5-8.5178.9-87.2148.8000113.6K6 L40L4-K6 PolarHBondContact O-N 2.89Å; L4-L40 HydrophobicContact CD1-CD1 3.79Å; L4-L40 HydrophobicContact CD2-CB 4.32Å; L4-L40 HydrophobicContact CD2-CD1 3.77Å; L4-L40 HydrophobicContact CG-CD1 4.42Å
5D54.7Low78.1Confident133 Ų13390.1 Ų90.171%0.71147%0.472SS*.THydrogen-bonded Turntrans-86.71.5-170.1-84.8-14.8000115.1
6K70.3Confident79.3Confident198 Ų19884.4 Ų84.486%0.86144%0.442SS*.THydrogen-bonded Turntrans-132.648.7171.3-76.6-172.2178.3178.20112.8L4 N8L4-K6 PolarHBondContact O-N 2.89Å; K6-N8 PolarHBondContact O-N 3.34Å
7L87.9Confident80.3Confident39 Ų3981.4 Ų81.420%0.20443%0.427CS..  trans-64.7106.3165-170.965.3000108.8I9 I12 L38 K41 I112L7-I9 VanDerWaalsContact C-N 3.28Å; L7-I9 HydrophobicContact CD2-CD1 3.42Å; L7-I9 VanDerWaalsContact CD2-CD1 3.42Å; L7-I9 HydrophobicContact CD2-CG1 4.21Å; L7-I9 HydrophobicContact CG-CD1 3.71Å; L7-I9 HydrophobicContact CG-CG1 4.18Å; L7-I9 PolarHBondContact O-N 2.89Å; L7-I12 HydrophobicContact CD1-CD1 3.56Å; L7-I12 HydrophobicContact CG-CD1 4.1Å; L7-L38 HydrophobicContact CD2-CD2 4.23Å; L7-K41 HydrophobicContact CD2-CG 4.13Å; L7-I112 HydrophobicContact CD2-CD1 4.45Å
8N94.3Very high81.1Confident96 Ų9683.1 Ų83.151%0.51343%0.432SS..  trans-8079.2178.5-170.9-18.9000110K6 D10 S11 I12K6-N8 PolarHBondContact O-N 3.34Å; N8-D10 PolarHBondContact O-N 2.85Å; N8-S11 VanDerWaalsContact CG-CB 3.47Å; N8-S11 PolarHBondContact O-N 3.11Å; N8-S11 WeakPolarHBondContact OD1-CB 3.45Å; N8-S11 PolarHBondContact OD1-N 2.79Å; N8-I12 WeakPolarHBondContact O-CG1 3.39Å; N8-I12 PolarHBondContact O-N 3.18Å; N8-I12 VanDerWaalsContact O-N 3.12Å
9I96.3Very high81.8Confident20 Ų2079.1 Ų79.110%0.10341%0.411CS..Hα-helixtrans-56.7-39.1-178-67.4-65.5000111.9L7 S11 I12 I13 L38 I112 K113L7-I9 VanDerWaalsContact C-N 3.28Å; L7-I9 HydrophobicContact CD2-CD1 3.42Å; L7-I9 VanDerWaalsContact CD2-CD1 3.42Å; L7-I9 HydrophobicContact CD2-CG1 4.21Å; L7-I9 HydrophobicContact CG-CD1 3.71Å; L7-I9 HydrophobicContact CG-CG1 4.18Å; L7-I9 PolarHBondContact O-N 2.89Å; I9-S11 PolarHBondContact O-N 2.88Å; I9-I12 PolarHBondContact O-N 2.99Å; I9-I13 HydrophobicContact CG2-CD1 3.65Å; I9-I13 HydrophobicContact CG2-CG1 4.26Å; I9-I13 WeakPolarHBondContact O-CG1 3.48Å; I9-I13 PolarHBondContact O-N 3.33Å; I9-L38 HydrophobicContact CD1-CD2 3.57Å; I9-I112 HydrophobicContact CD1-CB 4.14Å; I9-I112 HydrophobicContact CD1-CD1 3.87Å; I9-I112 HydrophobicContact CD1-CG2 3.82Å; I9-I112 HydrophobicContact CG1-CG2 3.8Å; I9-K113 HydrophobicContact CG2-CB 3.97Å; I9-K113 HydrophobicContact CG2-CD 4.35Å; I9-K113 HydrophobicContact CG2-CG 4.47Å
10D96.4Very high82.2Confident92 Ų9281.1 Ų81.149%0.49241%0.413SS..Hα-helixtrans-63.5-44.1-179.9-68.5-28.4000111.9N8 I12 I13 Q14 K113N8-D10 PolarHBondContact O-N 2.85Å; D10-I12 VanDerWaalsContact C-N 3.34Å; D10-I12 PolarHBondContact O-N 2.85Å; D10-I13 PolarHBondContact O-N 2.79Å; D10-Q14 WeakPolarHBondContact O-CB 3.4Å; D10-Q14 PolarHBondContact O-N 3.42Å; D10-K113 WeakPolarHBondContact OD1-CE 3.42Å; D10-K113 IonicContact OD1-NZ 3.89Å; D10-K113 PolarHBondContact OD1-NZ 2.84Å
11S96.9Very high82.5Confident44 Ų4481 Ų8131%0.30843%0.433SS..Hα-helixtrans-65-36.8175.91770000112.7N8 I9 R15N8-S11 VanDerWaalsContact CG-CB 3.47Å; N8-S11 PolarHBondContact O-N 3.11Å; N8-S11 WeakPolarHBondContact OD1-CB 3.45Å; N8-S11 PolarHBondContact OD1-N 2.79Å; I9-S11 PolarHBondContact O-N 2.88Å; S11-R15 PolarHBondContact O-N 2.58Å; S11-R15 VanDerWaalsContact O-N 3.12Å; S11-R15 PolarHBondContact O-NE 3.37Å
12I97.8Very high84.6Confident0 Ų071.8 Ų71.80%039%0.391CS..Hα-helixtrans-65.9-50.3176.8-69.4167.4000110.3L7 N8 I9 D10 Q14 R15 L16 L30 E34 L38 A109L7-I12 HydrophobicContact CD1-CD1 3.56Å; L7-I12 HydrophobicContact CG-CD1 4.1Å; N8-I12 WeakPolarHBondContact O-CG1 3.39Å; N8-I12 PolarHBondContact O-N 3.18Å; N8-I12 VanDerWaalsContact O-N 3.12Å; I9-I12 PolarHBondContact O-N 2.99Å; D10-I12 VanDerWaalsContact C-N 3.34Å; D10-I12 PolarHBondContact O-N 2.85Å; I12-Q14 VanDerWaalsContact C-N 3.3Å; I12-Q14 PolarHBondContact O-N 2.89Å; I12-R15 PolarHBondContact O-N 3.14Å; I12-L16 HydrophobicContact CG2-CD1 3.74Å; I12-L16 WeakPolarHBondContact O-CB 3.28Å; I12-L16 WeakPolarHBondContact O-CG 3.27Å; I12-L16 PolarHBondContact O-N 3.25Å; I12-L30 HydrophobicContact CG2-CD1 4.37Å; I12-L30 HydrophobicContact CG2-CD2 4.15Å; I12-E34 HydrophobicContact CD1-CB 4Å; I12-E34 HydrophobicContact CD1-CG 4.38Å; I12-L38 HydrophobicContact CD1-CD2 4.38Å; I12-L38 HydrophobicContact CG2-CD1 4.16Å; I12-L38 HydrophobicContact CG2-CD2 4.47Å; I12-A109 HydrophobicContact CG2-CB 4.44Å
13I98.1Very high87.1Confident9 Ų976 Ų765%0.04639%0.392CS..Hα-helixtrans-59.6-44.3177.9-68.5171.3000110.1I9 D10 R15 L16 L17 A109 Y110 K113I9-I13 HydrophobicContact CG2-CD1 3.65Å; I9-I13 HydrophobicContact CG2-CG1 4.26Å; I9-I13 WeakPolarHBondContact O-CG1 3.48Å; I9-I13 PolarHBondContact O-N 3.33Å; D10-I13 PolarHBondContact O-N 2.79Å; I13-R15 PolarHBondContact O-N 3.41Å; I13-L16 PolarHBondContact O-N 3.17Å; I13-L17 HydrophobicContact CG2-CD1 3.69Å; I13-L17 HydrophobicContact CG2-CG 4.16Å; I13-L17 VanDerWaalsContact O-CG 3.29Å; I13-L17 WeakPolarHBondContact O-CG 3.47Å; I13-L17 PolarHBondContact O-N 2.93Å; I13-A109 HydrophobicContact CD1-CB 4.13Å; I13-A109 HydrophobicContact CG1-CB 3.59Å; I13-Y110 HydrophobicContact CD1-CD1 4.17Å; I13-Y110 HydrophobicContact CD1-CE1 4.32Å; I13-Y110 HydrophobicContact CG2-CE1 4.14Å; I13-K113 HydrophobicContact CD1-CB 4.04Å; I13-K113 HydrophobicContact CD1-CD 3.5Å; I13-K113 VanDerWaalsContact CD1-CD 3.5Å; I13-K113 HydrophobicContact CD1-CG 4.4Å
14Q97.2Very high89.2Confident115 Ų11572.7 Ų72.754%0.53738%0.38SS..Hα-helixtrans-56.8-51.6178.7-170.7-171-30.400111.5D10 I12 L16 L17 E18D10-Q14 WeakPolarHBondContact O-CB 3.4Å; D10-Q14 PolarHBondContact O-N 3.42Å; I12-Q14 VanDerWaalsContact C-N 3.3Å; I12-Q14 PolarHBondContact O-N 2.89Å; Q14-L16 VanDerWaalsContact C-N 3.31Å; Q14-L16 PolarHBondContact O-N 2.99Å; Q14-L17 PolarHBondContact O-N 2.84Å; Q14-L17 VanDerWaalsContact O-N 3.14Å; Q14-E18 HydrophobicContact CG-CG 4.48Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.34Å; Q14-E18 PolarHBondContact NE2-OE1 2.93Å; Q14-E18 VanDerWaalsContact O-CG 3.28Å; Q14-E18 WeakPolarHBondContact O-CG 3.34Å; Q14-E18 PolarHBondContact O-N 3.11Å
15R97.3Very high91.1Very high58 Ų5871.7 Ų71.722%0.21939%0.385CS..Hα-helixtrans-60.3-39.4177.7-81-177.3-71.1161.7-7.3112.9S11 I12 I13 L17 E18 V28 Q29 E34S11-R15 PolarHBondContact O-N 2.58Å; S11-R15 VanDerWaalsContact O-N 3.12Å; S11-R15 PolarHBondContact O-NE 3.37Å; I12-R15 PolarHBondContact O-N 3.14Å; I13-R15 PolarHBondContact O-N 3.41Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 2.98Å; R15-E18 PolarHBondContact O-N 2.88Å; R15-V28 HydrophobicContact CB-CG1 4.13Å; R15-Q29 PolarHBondContact NH1-O 3.22Å; R15-E34 IonicContact CZ-OE1 3.52Å; R15-E34 IonicContact CZ-OE2 3.53Å; R15-E34 IonicContact NH1-OE1 3.53Å; R15-E34 IonicContact NH1-OE2 2.88Å; R15-E34 PolarHBondContact NH1-OE2 3.16Å; R15-E34 VanDerWaalsContact NH2-CD 3.28Å; R15-E34 IonicContact NH2-OE1 2.65Å; R15-E34 PolarHBondContact NH2-OE1 3.45Å; R15-E34 IonicContact NH2-OE2 3.28Å; R15-E34 PolarHBondContact NH2-OE2 2.87Å
16L97.5Very high92.9Very high0 Ų070.5 Ų70.50%037%0.373CS..Hα-helixtrans-63.2-39.5176.4-76.8165.4000111.4I12 I13 Q14 V19 V28 L30 Y69 E102 C105 L106I12-L16 HydrophobicContact CG2-CD1 3.74Å; I12-L16 WeakPolarHBondContact O-CB 3.28Å; I12-L16 WeakPolarHBondContact O-CG 3.27Å; I12-L16 PolarHBondContact O-N 3.25Å; I13-L16 PolarHBondContact O-N 3.17Å; Q14-L16 VanDerWaalsContact C-N 3.31Å; Q14-L16 PolarHBondContact O-N 2.99Å; L16-V19 WeakPolarHBondContact O-CG2 3.42Å; L16-V28 HydrophobicContact CD2-CB 4.06Å; L16-V28 HydrophobicContact CD2-CG1 3.99Å; L16-V28 HydrophobicContact CD2-CG2 4.15Å; L16-V28 HydrophobicContact CG-CG1 4.29Å; L16-L30 HydrophobicContact CD1-CD1 4.35Å; L16-L30 HydrophobicContact CD2-CD1 4.13Å; L16-L30 HydrophobicContact CG-CD1 4.37Å; L16-Y69 WeakPolarHBondContact CB-OH 3.48Å; L16-Y69 PolarHBondContact O-OH 3.44Å; L16-E102 HydrophobicContact CD2-CB 4.23Å; L16-E102 HydrophobicContact CD2-CG 4.31Å; L16-C105 HydrophobicContact CD1-CB 4.2Å; L16-C105 HydrophobicContact CD2-CB 4.4Å; L16-L106 HydrophobicContact CB-CD1 4.04Å; L16-L106 HydrophobicContact CD1-CB 4.08Å; L16-L106 HydrophobicContact CD1-CD1 4.19Å
17L97.1Very high94Very high33 Ų3365.4 Ų65.417%0.17336%0.355CS..Hα-helixtrans-81.4-21.5-179.3-63.6178.9000114.2I13 Q14 R15 V19 R20 L73 F81 L106I13-L17 HydrophobicContact CG2-CD1 3.69Å; I13-L17 HydrophobicContact CG2-CG 4.16Å; I13-L17 VanDerWaalsContact O-CG 3.29Å; I13-L17 WeakPolarHBondContact O-CG 3.47Å; I13-L17 PolarHBondContact O-N 2.93Å; Q14-L17 PolarHBondContact O-N 2.84Å; Q14-L17 VanDerWaalsContact O-N 3.14Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 2.98Å; L17-V19 PolarHBondContact O-N 2.87Å; L17-R20 WeakPolarHBondContact O-CB 3.27Å; L17-R20 PolarHBondContact O-N 3.44Å; L17-L73 HydrophobicContact CD2-CD2 3.69Å; L17-F81 HydrophobicContact CD2-CD1 4.32Å; L17-F81 HydrophobicContact CD2-CE1 3.79Å; L17-L106 HydrophobicContact CD2-CD1 4.18Å; L17-L106 HydrophobicContact CD2-CD2 4.14Å
18E94.8Very high94.4Very high111 Ų11164.4 Ų64.452%0.51935%0.351SS..Hα-helixtrans-61.6-26.3-178.9-84.1169.3-17200113.5Q14 R15 R20Q14-E18 HydrophobicContact CG-CG 4.48Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.34Å; Q14-E18 PolarHBondContact NE2-OE1 2.93Å; Q14-E18 VanDerWaalsContact O-CG 3.28Å; Q14-E18 WeakPolarHBondContact O-CG 3.34Å; Q14-E18 PolarHBondContact O-N 3.11Å; R15-E18 PolarHBondContact O-N 2.88Å; E18-R20 VanDerWaalsContact C-N 3.26Å; E18-R20 PolarHBondContact O-N 3.24Å
19V93.9Very high94.4Very high7 Ų767.1 Ų67.14%0.04236%0.361CS..G310 helixtrans-79.5-5.4-179.4-58.90000114.2L16 L17 G21 S22 K26 V28 Y69 Y70 L73L16-V19 WeakPolarHBondContact O-CG2 3.42Å; L17-V19 PolarHBondContact O-N 2.87Å; V19-G21 VanDerWaalsContact C-N 3.29Å; V19-G21 PolarHBondContact O-N 3.09Å; V19-S22 WeakPolarHBondContact O-CA 3.21Å; V19-S22 VanDerWaalsContact O-CB 3.23Å; V19-S22 WeakPolarHBondContact O-CB 3.45Å; V19-S22 PolarHBondContact O-N 3.08Å; V19-K26 HydrophobicContact CB-CD 4.42Å; V19-K26 HydrophobicContact CG1-CD 3.99Å; V19-K26 HydrophobicContact CG1-CG 4.21Å; V19-V28 HydrophobicContact CB-CG2 4.35Å; V19-V28 HydrophobicContact CG1-CG2 3.68Å; V19-V28 HydrophobicContact CG2-CG2 3.7Å; V19-Y69 HydrophobicContact CG2-CD1 4.47Å; V19-Y69 HydrophobicContact CG2-CE1 3.68Å; V19-Y70 WeakPolarHBondContact O-CE1 3.31Å; V19-Y70 PolarHBondContact O-OH 3.38Å; V19-L73 HydrophobicContact CG2-CD1 4.47Å
20R89.9Confident94.3Very high119 Ų11967.5 Ų67.545%0.44936%0.363SS..G310 helixtrans-51.4-43.5177.7174.2176.846.4163.71.9113.7L17 E18 S22 L73 E77L17-R20 WeakPolarHBondContact O-CB 3.27Å; L17-R20 PolarHBondContact O-N 3.44Å; E18-R20 VanDerWaalsContact C-N 3.26Å; E18-R20 PolarHBondContact O-N 3.24Å; R20-S22 VanDerWaalsContact C-N 3.3Å; R20-L73 HydrophobicContact CB-CD1 4.13Å; R20-E77 WeakPolarHBondContact CD-OE1 3.37Å; R20-E77 WeakPolarHBondContact CG-OE1 3.47Å
21G87.2Confident94.3Very high80 Ų8068.8 Ų68.883%0.82537%0.366SS*.G310 helixtrans-84.3-1.5177.800000114.4V19V19-G21 VanDerWaalsContact C-N 3.29Å; V19-G21 PolarHBondContact O-N 3.09Å
22S92.2Very high94.2Very high36 Ų3674.4 Ų74.425%0.25239%0.387SS..SBendtrans-88.2167.2179.1-59.50000111.4V19 R20 K26V19-S22 WeakPolarHBondContact O-CA 3.21Å; V19-S22 VanDerWaalsContact O-CB 3.23Å; V19-S22 WeakPolarHBondContact O-CB 3.45Å; V19-S22 PolarHBondContact O-N 3.08Å; R20-S22 VanDerWaalsContact C-N 3.3Å; S22-K26 VanDerWaalsContact CB-CD 3.4Å; S22-K26 WeakPolarHBondContact OG-CD 3.23Å; S22-K26 PolarHBondContact OG-NZ 2.8Å
23K91.1Very high94.1Very high179 Ų17979.1 Ų79.178%0.77841%0.413SS*.PPolyproline II helixtrans-55.7132.3173.1-175.8-178.7176.9-177.20110.5G25 K26 Y70K23-G25 PolarHBondContact O-N 3.42Å; K23-K26 PolarHBondContact O-N 3.49Å; K23-Y70 PolarHBondContact O-OH 3.01Å; K23-Y70 VanDerWaalsContact O-OH 3.11Å
24P91.9Very high94Very high94 Ų9480.1 Ų80.161%0.6142%0.417SS*.THydrogen-bonded Turntrans-50.3135.8174.2-29.836.2000113Y70P24-Y70 HydrophobicContact CB-CD1 4.15Å; P24-Y70 HydrophobicContact CB-CD2 4.18Å; P24-Y70 HydrophobicContact CB-CE1 4.44Å; P24-Y70 HydrophobicContact CB-CE2 4.48Å; P24-Y70 HydrophobicContact CB-CG 4.01Å; P24-Y70 HydrophobicContact CG-CD1 4.1Å; P24-Y70 HydrophobicContact CG-CE1 4.39Å; P24-Y70 HydrophobicContact CG-CG 4.41Å
25G89.2Confident94.1Very high43 Ų4376.8 Ų76.844%0.44340%0.402SS..THydrogen-bonded Turntrans90.97.4-173.700000115K23 N27 Q99K23-G25 PolarHBondContact O-N 3.42Å; G25-N27 PolarHBondContact O-N 3.22Å; G25-N27 PolarHBondContact O-OD1 2.82Å; G25-Q99 VanDerWaalsContact CA-OE1 3.27Å
26K93.6Very high94.1Very high107 Ų10781.8 Ų81.847%0.46542%0.421SS..PPolyproline II helixtrans-75123171.2-176.4-178.6176.1-174.40109.4V19 S22 K23 Q99V19-K26 HydrophobicContact CB-CD 4.42Å; V19-K26 HydrophobicContact CG1-CD 3.99Å; V19-K26 HydrophobicContact CG1-CG 4.21Å; S22-K26 VanDerWaalsContact CB-CD 3.4Å; S22-K26 WeakPolarHBondContact OG-CD 3.23Å; S22-K26 PolarHBondContact OG-NZ 2.8Å; K23-K26 PolarHBondContact O-N 3.49Å; K26-Q99 PolarHBondContact O-NE2 3.14Å
27N94Very high94Very high91 Ų9181.8 Ų81.849%0.48742%0.422SS..PPolyproline II helixtrans-77.4153.1179.4-64.2-0.8000112.2G25 Q99 E102G25-N27 PolarHBondContact O-N 3.22Å; G25-N27 PolarHBondContact O-OD1 2.82Å; N27-Q99 PolarHBondContact OD1-NE2 3.23Å; N27-E102 WeakPolarHBondContact CA-OE1 3.47Å; N27-E102 VanDerWaalsContact CB-OE1 3.29Å; N27-E102 WeakPolarHBondContact CB-OE1 3.41Å
28V95.4Very high94.1Very high18 Ų1880.3 Ų80.311%0.10941%0.414CS..PPolyproline II helixtrans-102.9126.4174.8-178.10000108.9R15 L16 V19 L30 E102R15-V28 HydrophobicContact CB-CG1 4.13Å; L16-V28 HydrophobicContact CD2-CB 4.06Å; L16-V28 HydrophobicContact CD2-CG1 3.99Å; L16-V28 HydrophobicContact CD2-CG2 4.15Å; L16-V28 HydrophobicContact CG-CG1 4.29Å; V19-V28 HydrophobicContact CB-CG2 4.35Å; V19-V28 HydrophobicContact CG1-CG2 3.68Å; V19-V28 HydrophobicContact CG2-CG2 3.7Å; V28-L30 HydrophobicContact CG1-CD2 4.19Å; V28-L30 HydrophobicContact CG1-CG 4.24Å; V28-L30 PolarHBondContact O-N 3.06Å; V28-E102 HydrophobicContact CB-CG 3.91Å; V28-E102 HydrophobicContact CG2-CG 3.94Å; V28-E102 PolarHBondContact N-OE1 3.49Å
29Q93.6Very high94.3Very high154 Ų15478 Ų7872%0.7241%0.409SS*.  trans-83.899-179.6-59.4-62-45.500109.9R15R15-Q29 PolarHBondContact NH1-O 3.22Å
30L95.4Very high94.4Very high28 Ų2880.2 Ų80.215%0.14742%0.42CS..  trans-106141.9169.6-61.3-178000109.4I12 L16 V28 I35 C105I12-L30 HydrophobicContact CG2-CD1 4.37Å; I12-L30 HydrophobicContact CG2-CD2 4.15Å; L16-L30 HydrophobicContact CD1-CD1 4.35Å; L16-L30 HydrophobicContact CD2-CD1 4.13Å; L16-L30 HydrophobicContact CG-CD1 4.37Å; V28-L30 HydrophobicContact CG1-CD2 4.19Å; V28-L30 HydrophobicContact CG1-CG 4.24Å; V28-L30 PolarHBondContact O-N 3.06Å; L30-I35 HydrophobicContact CB-CD1 4.15Å; L30-I35 HydrophobicContact CB-CG1 3.9Å; L30-I35 HydrophobicContact CD1-CG1 4.35Å; L30-C105 HydrophobicContact CD1-CB 3.84Å
31Q95.8Very high94.8Very high119 Ų11977.2 Ų77.256%0.55641%0.411SS*.  trans-78152175.7-60.7178.82000110.5N33 E34 I35Q31-N33 VanDerWaalsContact C-N 3.27Å; Q31-N33 WeakPolarHBondContact CB-OD1 3.42Å; Q31-N33 PolarHBondContact O-N 2.82Å; Q31-N33 PolarHBondContact OE1-OD1 3.43Å; Q31-E34 HydrophobicContact CB-CG 4.05Å; Q31-E34 PolarHBondContact N-OE2 2.63Å; Q31-E34 WeakPolarHBondContact O-CA 3.12Å; Q31-E34 WeakPolarHBondContact O-CB 2.96Å; Q31-E34 PolarHBondContact O-N 3.46Å; Q31-I35 PolarHBondContact O-N 3.03Å; Q31-I35 VanDerWaalsContact O-N 3.1Å
32E95.8Very high95.3Very high162 Ų16273.6 Ų73.676%0.75737%0.373SS*.Hα-helixtrans-55.2-41.4-179.3-172.9-165.3147.200112.5E34 I35 R36E32-E34 VanDerWaalsContact C-N 3.3Å; E32-E34 PolarHBondContact O-N 2.82Å; E32-I35 PolarHBondContact O-N 3.46Å; E32-R36 VanDerWaalsContact O-CB 3.25Å; E32-R36 WeakPolarHBondContact O-CB 3.33Å; E32-R36 PolarHBondContact O-N 2.74Å
33N95.2Very high95.6Very high99 Ų9978.8 Ų78.853%0.52939%0.387SS..Hα-helixtrans-63.4-33.5176.561.1-22.7000112.7Q31 G37Q31-N33 VanDerWaalsContact C-N 3.27Å; Q31-N33 WeakPolarHBondContact CB-OD1 3.42Å; Q31-N33 PolarHBondContact O-N 2.82Å; Q31-N33 PolarHBondContact OE1-OD1 3.43Å; N33-G37 PolarHBondContact O-N 2.97Å
34E96.6Very high95.9Very high30 Ų3075.1 Ų75.114%0.1437%0.373CS..Hα-helixtrans-68.3-49.2175.9-61.6179.4130.500110.1I12 R15 Q31 E32 R36 G37 L38I12-E34 HydrophobicContact CD1-CB 4Å; I12-E34 HydrophobicContact CD1-CG 4.38Å; R15-E34 IonicContact CZ-OE1 3.52Å; R15-E34 IonicContact CZ-OE2 3.53Å; R15-E34 IonicContact NH1-OE1 3.53Å; R15-E34 IonicContact NH1-OE2 2.88Å; R15-E34 PolarHBondContact NH1-OE2 3.16Å; R15-E34 VanDerWaalsContact NH2-CD 3.28Å; R15-E34 IonicContact NH2-OE1 2.65Å; R15-E34 PolarHBondContact NH2-OE1 3.45Å; R15-E34 IonicContact NH2-OE2 3.28Å; R15-E34 PolarHBondContact NH2-OE2 2.87Å; Q31-E34 HydrophobicContact CB-CG 4.05Å; Q31-E34 PolarHBondContact N-OE2 2.63Å; Q31-E34 WeakPolarHBondContact O-CA 3.12Å; Q31-E34 WeakPolarHBondContact O-CB 2.96Å; Q31-E34 PolarHBondContact O-N 3.46Å; E32-E34 VanDerWaalsContact C-N 3.3Å; E32-E34 PolarHBondContact O-N 2.82Å; E34-R36 PolarHBondContact O-N 3.33Å; E34-G37 WeakPolarHBondContact O-CA 3.32Å; E34-G37 PolarHBondContact O-N 2.96Å; E34-G37 VanDerWaalsContact O-N 3.14Å; E34-L38 WeakPolarHBondContact O-CG 3.39Å; E34-L38 PolarHBondContact O-N 3.07Å
35I97.6Very high96.2Very high45 Ų4572.1 Ų72.123%0.23135%0.351CS..Hα-helixtrans-60.4-47.2177.3-60.2172.7000110.1L30 Q31 E32 G37 L38 C39L30-I35 HydrophobicContact CB-CD1 4.15Å; L30-I35 HydrophobicContact CB-CG1 3.9Å; L30-I35 HydrophobicContact CD1-CG1 4.35Å; Q31-I35 PolarHBondContact O-N 3.03Å; Q31-I35 VanDerWaalsContact O-N 3.1Å; E32-I35 PolarHBondContact O-N 3.46Å; I35-G37 VanDerWaalsContact C-N 3.28Å; I35-G37 PolarHBondContact O-N 3.07Å; I35-L38 WeakPolarHBondContact O-CB 3.42Å; I35-L38 PolarHBondContact O-N 3.34Å; I35-C39 PolarHBondContact O-N 3.43Å; I35-C39 PolarHBondContact O-SG 2.97Å; I35-C39 VanDerWaalsContact O-SG 3.41Å
36R97.3Very high96.7Very high162 Ų16273.6 Ų73.661%0.61135%0.345SS*.Hα-helixtrans-59.6-40.1175.8-174.7177.8176.7-170.90.5111.8E32 E34 C39 L40E32-R36 VanDerWaalsContact O-CB 3.25Å; E32-R36 WeakPolarHBondContact O-CB 3.33Å; E32-R36 PolarHBondContact O-N 2.74Å; E34-R36 PolarHBondContact O-N 3.33Å; R36-C39 PolarHBondContact O-N 3.49Å; R36-L40 HydrophobicContact CG-CD1 4.08Å; R36-L40 WeakPolarHBondContact O-CG 3.37Å; R36-L40 PolarHBondContact O-N 2.98Å
37G97.1Very high96.9Very high1 Ų174.4 Ų74.41%0.0135%0.354CS..Hα-helixtrans-61-46175.300000112.4N33 E34 I35 C39 L40 K41N33-G37 PolarHBondContact O-N 2.97Å; E34-G37 WeakPolarHBondContact O-CA 3.32Å; E34-G37 PolarHBondContact O-N 2.96Å; E34-G37 VanDerWaalsContact O-N 3.14Å; I35-G37 VanDerWaalsContact C-N 3.28Å; I35-G37 PolarHBondContact O-N 3.07Å; G37-C39 PolarHBondContact O-N 2.91Å; G37-L40 PolarHBondContact O-N 2.89Å; G37-K41 WeakPolarHBondContact O-CB 3.36Å; G37-K41 WeakPolarHBondContact O-CG 3.05Å; G37-K41 PolarHBondContact O-N 2.85Å
38L98.2Very high97.1Very high1 Ų174.6 Ų74.61%0.00536%0.363CS..Hα-helixtrans-57.5-47.8174.8-67.2173.4000111.2L7 I9 I12 E34 I35 L40 S42 C105 L108 A109 I112L7-L38 HydrophobicContact CD2-CD2 4.23Å; I9-L38 HydrophobicContact CD1-CD2 3.57Å; I12-L38 HydrophobicContact CD1-CD2 4.38Å; I12-L38 HydrophobicContact CG2-CD1 4.16Å; I12-L38 HydrophobicContact CG2-CD2 4.47Å; E34-L38 WeakPolarHBondContact O-CG 3.39Å; E34-L38 PolarHBondContact O-N 3.07Å; I35-L38 WeakPolarHBondContact O-CB 3.42Å; I35-L38 PolarHBondContact O-N 3.34Å; L38-L40 PolarHBondContact O-N 3.04Å; L38-S42 VanDerWaalsContact O-CB 3.24Å; L38-S42 WeakPolarHBondContact O-CB 3.25Å; L38-S42 PolarHBondContact O-N 3.31Å; L38-S42 PolarHBondContact O-OG 2.89Å; L38-C105 HydrophobicContact CD1-CB 3.9Å; L38-L108 HydrophobicContact CB-CB 4.33Å; L38-L108 HydrophobicContact CB-CD1 4.5Å; L38-A109 HydrophobicContact CD2-CB 3.84Å; L38-I112 HydrophobicContact CB-CD1 4.45Å; L38-I112 HydrophobicContact CD2-CD1 3.81Å
39C98.3Very high97.2Very high63 Ų6375.2 Ų75.243%0.42636%0.364SS..Hα-helixtrans-61.1-44.9178.9-68.40000112.4I35 R36 G37 S42 R43I35-C39 PolarHBondContact O-N 3.43Å; I35-C39 PolarHBondContact O-SG 2.97Å; I35-C39 VanDerWaalsContact O-SG 3.41Å; R36-C39 PolarHBondContact O-N 3.49Å; G37-C39 PolarHBondContact O-N 2.91Å; C39-S42 PolarHBondContact O-OG 2.68Å; C39-R43 WeakPolarHBondContact O-CB 3.23Å; C39-R43 PolarHBondContact O-N 3.16Å; C39-R43 VanDerWaalsContact O-N 3.08Å
40L97.8Very high97.5Very high53 Ų5371.9 Ų71.928%0.27736%0.356SS..Hα-helixtrans-69.2-46.4-178.2-70.8173.6000112.2L4 R36 G37 L38 R43 E44L4-L40 HydrophobicContact CD1-CD1 3.79Å; L4-L40 HydrophobicContact CD2-CB 4.32Å; L4-L40 HydrophobicContact CD2-CD1 3.77Å; L4-L40 HydrophobicContact CG-CD1 4.42Å; R36-L40 HydrophobicContact CG-CD1 4.08Å; R36-L40 WeakPolarHBondContact O-CG 3.37Å; R36-L40 PolarHBondContact O-N 2.98Å; G37-L40 PolarHBondContact O-N 2.89Å; L38-L40 PolarHBondContact O-N 3.04Å; L40-R43 PolarHBondContact O-N 3.2Å; L40-E44 WeakPolarHBondContact O-CG 3.38Å; L40-E44 PolarHBondContact O-N 2.93Å; L40-E44 VanDerWaalsContact O-N 3.1Å
41K97.7Very high97.6Very high56 Ų5679 Ų7924%0.24339%0.392CS..Hα-helixtrans-68.8-42.7-179-71.3-64.5-177-173.50112.5L7 G37 R43 E44 I45 I112L7-K41 HydrophobicContact CD2-CG 4.13Å; G37-K41 WeakPolarHBondContact O-CB 3.36Å; G37-K41 WeakPolarHBondContact O-CG 3.05Å; G37-K41 PolarHBondContact O-N 2.85Å; K41-R43 VanDerWaalsContact C-N 3.33Å; K41-R43 PolarHBondContact O-N 3.42Å; K41-E44 IonicContact NZ-OE2 3.77Å; K41-E44 WeakPolarHBondContact O-CB 3.39Å; K41-E44 PolarHBondContact O-N 3.38Å; K41-I45 WeakPolarHBondContact O-CG1 3.39Å; K41-I45 PolarHBondContact O-N 3.36Å; K41-I112 HydrophobicContact CB-CD1 3.75Å; K41-I112 HydrophobicContact CB-CG1 4.1Å
42S98.1Very high97.7Very high4 Ų479.7 Ų79.73%0.02840%0.399CS..Hα-helixtrans-64-39.317559.50000111.9L38 C39 E44 I45 F46L38-S42 VanDerWaalsContact O-CB 3.24Å; L38-S42 WeakPolarHBondContact O-CB 3.25Å; L38-S42 PolarHBondContact O-N 3.31Å; L38-S42 PolarHBondContact O-OG 2.89Å; C39-S42 PolarHBondContact O-OG 2.68Å; S42-E44 VanDerWaalsContact C-N 3.34Å; S42-E44 PolarHBondContact O-N 3.35Å; S42-I45 PolarHBondContact O-N 2.91Å; S42-I45 VanDerWaalsContact O-N 3.16Å; S42-F46 WeakPolarHBondContact O-CD2 3.37Å; S42-F46 WeakPolarHBondContact O-CG 3.47Å; S42-F46 PolarHBondContact O-N 3.43Å
43R98.4Very high97.8Very high146 Ų14674 Ų7455%0.55137%0.374SS*.Hα-helixtrans-58-43173.5176.3179.7169.4-85.1-2.1112.5C39 L40 K41 I45 F46 L47C39-R43 WeakPolarHBondContact O-CB 3.23Å; C39-R43 PolarHBondContact O-N 3.16Å; C39-R43 VanDerWaalsContact O-N 3.08Å; L40-R43 PolarHBondContact O-N 3.2Å; K41-R43 VanDerWaalsContact C-N 3.33Å; K41-R43 PolarHBondContact O-N 3.42Å; R43-I45 VanDerWaalsContact C-N 3.32Å; R43-I45 PolarHBondContact O-N 3.24Å; R43-F46 PolarHBondContact O-N 3.01Å; R43-L47 HydrophobicContact CG-CD1 4.02Å; R43-L47 WeakPolarHBondContact O-CB 3.26Å; R43-L47 VanDerWaalsContact O-CG 3.31Å; R43-L47 WeakPolarHBondContact O-CG 3.47Å; R43-L47 PolarHBondContact O-N 2.74Å
44E97.9Very high97.9Very high102 Ų10277.8 Ų77.848%0.47739%0.388SS..Hα-helixtrans-58.3-45.7175.1-72.6169.2-174.100111L40 K41 S42 L47 S48L40-E44 WeakPolarHBondContact O-CG 3.38Å; L40-E44 PolarHBondContact O-N 2.93Å; L40-E44 VanDerWaalsContact O-N 3.1Å; K41-E44 IonicContact NZ-OE2 3.77Å; K41-E44 WeakPolarHBondContact O-CB 3.39Å; K41-E44 PolarHBondContact O-N 3.38Å; S42-E44 VanDerWaalsContact C-N 3.34Å; S42-E44 PolarHBondContact O-N 3.35Å; E44-L47 PolarHBondContact O-N 3.04Å; E44-S48 PolarHBondContact O-N 3.23Å; E44-S48 VanDerWaalsContact O-N 3.07Å
45I98.3Very high97.9Very high30 Ų3079.1 Ų79.115%0.15440%0.396CS..Hα-helixtrans-63.1-48.2178.4-63.2166.8000111K41 S42 R43 L47 S48 Q49 K111 I112 P115K41-I45 WeakPolarHBondContact O-CG1 3.39Å; K41-I45 PolarHBondContact O-N 3.36Å; S42-I45 PolarHBondContact O-N 2.91Å; S42-I45 VanDerWaalsContact O-N 3.16Å; R43-I45 VanDerWaalsContact C-N 3.32Å; R43-I45 PolarHBondContact O-N 3.24Å; I45-L47 VanDerWaalsContact C-N 3.27Å; I45-L47 PolarHBondContact O-N 3.24Å; I45-S48 PolarHBondContact O-N 3Å; I45-S48 VanDerWaalsContact O-N 3.07Å; I45-S48 PolarHBondContact O-OG 3.23Å; I45-Q49 PolarHBondContact O-N 2.94Å; I45-Q49 VanDerWaalsContact O-N 3.17Å; I45-K111 HydrophobicContact CG2-CD 4.48Å; I45-I112 HydrophobicContact CD1-CB 4.22Å; I45-I112 HydrophobicContact CD1-CG1 3.97Å; I45-I112 HydrophobicContact CD1-CG2 4.45Å; I45-P115 HydrophobicContact CG2-CB 3.92Å
46F98.5Very high97.9Very high75 Ų7585.4 Ų85.433%0.32942%0.424SS..Hα-helixtrans-59.3-38.2178.3-67.7-53.5000112.7S42 R43 S48 Q49 L108 K111 L120S42-F46 WeakPolarHBondContact O-CD2 3.37Å; S42-F46 WeakPolarHBondContact O-CG 3.47Å; S42-F46 PolarHBondContact O-N 3.43Å; R43-F46 PolarHBondContact O-N 3.01Å; F46-S48 VanDerWaalsContact C-N 3.32Å; F46-Q49 PolarHBondContact O-N 2.84Å; F46-L108 HydrophobicContact CE2-CD2 3.98Å; F46-L108 HydrophobicContact CZ-CD2 4.24Å; F46-K111 HydrophobicContact CE1-CD 4.14Å; F46-K111 HydrophobicContact CE1-CG 3.93Å; F46-K111 HydrophobicContact CZ-CG 3.9Å; F46-L120 HydrophobicContact CE1-CB 4.13Å; F46-L120 HydrophobicContact CZ-CB 4.13Å; F46-L120 HydrophobicContact CZ-CD1 4.07Å
47L98.1Very high97.8Very high124 Ų12482 Ų8265%0.64943%0.431SS*.Hα-helixtrans-72.9-24.1177.7-70.8172.9000113.2R43 E44 I45R43-L47 HydrophobicContact CG-CD1 4.02Å; R43-L47 WeakPolarHBondContact O-CB 3.26Å; R43-L47 VanDerWaalsContact O-CG 3.31Å; R43-L47 WeakPolarHBondContact O-CG 3.47Å; R43-L47 PolarHBondContact O-N 2.74Å; E44-L47 PolarHBondContact O-N 3.04Å; I45-L47 VanDerWaalsContact C-N 3.27Å; I45-L47 PolarHBondContact O-N 3.24Å
48S98.2Very high97.8Very high95 Ų9587 Ų8766%0.66446%0.464SS*.Hα-helixtrans-80.1-19.5174.268.80000114.1E44 I45 F46E44-S48 PolarHBondContact O-N 3.23Å; E44-S48 VanDerWaalsContact O-N 3.07Å; I45-S48 PolarHBondContact O-N 3Å; I45-S48 VanDerWaalsContact O-N 3.07Å; I45-S48 PolarHBondContact O-OG 3.23Å; F46-S48 VanDerWaalsContact C-N 3.32Å
49Q98.1Very high97.7Very high30 Ų3089.4 Ų89.414%0.1448%0.476CS..SBendtrans-97.9152.8-179.5-71.4-176.5-18.500111I45 F46 L53 P115 E116I45-Q49 PolarHBondContact O-N 2.94Å; I45-Q49 VanDerWaalsContact O-N 3.17Å; F46-Q49 PolarHBondContact O-N 2.84Å; Q49-L53 HydrophobicContact CB-CD2 4.38Å; Q49-P115 PolarHBondContact NE2-O 3.26Å; Q49-E116 PolarHBondContact NE2-OE1 2.94Å
50P98.3Very high97.7Very high85 Ų8590.5 Ų90.555%0.55247%0.474SS*.  trans-65.8143.9178.128.1-34.7000111.1L52 L53P50-L52 PolarHBondContact O-N 3.33Å; P50-L53 HydrophobicContact CG-CD2 4.43Å; P50-L53 WeakPolarHBondContact O-CD2 3.06Å
51I98Very high97.7Very high177 Ų17793.2 Ų93.291%0.90849%0.487SS*.SBendtrans-63-31.7177.1-168.2170.2000112.4
52L98.3Very high97.8Very high134 Ų13491 Ų9170%0.70248%0.479SS*.SBendtrans-100.6103.1170178.263.3000107.4P50P50-L52 PolarHBondContact O-N 3.33Å
53L97.8Very high97.8Very high42 Ų4292.5 Ų92.522%0.2250%0.495CS..  trans-75.2136-179.4-64.1172.9000110.8Q49 P50 L55 F119 L121Q49-L53 HydrophobicContact CB-CD2 4.38Å; P50-L53 HydrophobicContact CG-CD2 4.43Å; P50-L53 WeakPolarHBondContact O-CD2 3.06Å; L53-L55 HydrophobicContact CB-CD1 4.38Å; L53-L55 HydrophobicContact CB-CD2 4.11Å; L53-L55 HydrophobicContact CB-CG 4.03Å; L53-F119 HydrophobicContact CD1-CB 4.01Å; L53-F119 HydrophobicContact CD1-CD1 3.88Å; L53-F119 HydrophobicContact CD1-CG 4.28Å; L53-F119 HydrophobicContact CD2-CD1 4.42Å; L53-L121 HydrophobicContact CD1-CD2 3.99Å
54E97.7Very high97.7Very high179 Ų17990.5 Ų90.584%0.83650%0.495SS*.  trans-108.8108.7170.1-65.7-179.4-164.900107.7
55L97.1Very high97.7Very high58 Ų5886.3 Ų86.330%0.30448%0.476SS..  trans-121146.3-170.7-55.4-178.8000111.1L53 L59 L88 F119L53-L55 HydrophobicContact CB-CD1 4.38Å; L53-L55 HydrophobicContact CB-CD2 4.11Å; L53-L55 HydrophobicContact CB-CG 4.03Å; L55-L59 HydrophobicContact CB-CD2 4.31Å; L55-L59 HydrophobicContact CD1-CD2 4.05Å; L55-L88 HydrophobicContact CD1-CB 4.43Å; L55-L88 HydrophobicContact CD1-CD1 3.97Å; L55-L88 HydrophobicContact CD1-CD2 4.23Å; L55-L88 HydrophobicContact CD1-CG 4.45Å; L55-F119 HydrophobicContact CD1-CB 4.14Å; L55-F119 HydrophobicContact CD1-CD1 4.37Å; L55-F119 HydrophobicContact CD1-CD2 3.77Å; L55-F119 HydrophobicContact CD1-CE2 4.27Å; L55-F119 HydrophobicContact CD1-CG 3.82Å; L55-F119 HydrophobicContact CD2-CD1 3.75Å; L55-F119 HydrophobicContact CD2-CD2 3.9Å; L55-F119 HydrophobicContact CD2-CE1 3.48Å; L55-F119 VanDerWaalsContact CD2-CE1 3.48Å; L55-F119 HydrophobicContact CD2-CE2 3.65Å; L55-F119 HydrophobicContact CD2-CG 3.95Å; L55-F119 HydrophobicContact CD2-CZ 3.43Å; L55-F119 VanDerWaalsContact CD2-CZ 3.43Å; L55-F119 HydrophobicContact CG-CD2 4.49Å
56E96.3Very high97.7Very high176 Ų17685.9 Ų85.982%0.82247%0.473SS*.  trans-105.4150.8178.3-63.2-174.4172.300112
57A96.4Very high97.7Very high92 Ų9282.5 Ų82.576%0.7646%0.459SS*.SBendtrans-74152.9171.700000110.7
58P95.9Very high97.7Very high106 Ų10681.6 Ų81.669%0.68845%0.452SS*.SBendcis-80.4142.75.532.1-35000113.3N86P58-N86 WeakPolarHBondContact O-CB 3.49Å; P58-N86 PolarHBondContact O-ND2 3.44Å
59L96.4Very high97.7Very high51 Ų5177.2 Ų77.227%0.26742%0.42SS..  trans-147.5137.6-176.7-170.769.1000110.9L55 I61 N86 L88L55-L59 HydrophobicContact CB-CD2 4.31Å; L55-L59 HydrophobicContact CD1-CD2 4.05Å; L59-I61 HydrophobicContact CD2-CG1 4.33Å; L59-I61 HydrophobicContact CG-CG1 4.45Å; L59-N86 HydrophobicContact CD1-CB 3.69Å; L59-L88 HydrophobicContact CD1-CB 4.16Å; L59-L88 HydrophobicContact CD2-CB 3.78Å; L59-L88 HydrophobicContact CD2-CD2 4.1Å; L59-L88 HydrophobicContact CG-CB 4.09Å
60K98.3Very high97.6Very high86 Ų8677.3 Ų77.337%0.37442%0.42SS..EExtended strand (participates in β ladder)trans-101.8126.6170.9-64.7-179.8-170.6-123.70109G79 S85 N86 Y87 L88K60-G79 WeakPolarHBondContact CD-O 3.48Å; K60-G79 WeakPolarHBondContact CE-O 3.45Å; K60-G79 PolarHBondContact NZ-O 3.09Å; K60-S85 VanDerWaalsContact CE-OG 3.23Å; K60-S85 WeakPolarHBondContact CE-OG 3.08Å; K60-N86 PolarHBondContact N-O 3.41Å; K60-Y87 HydrophobicContact CB-CD1 3.85Å; K60-Y87 HydrophobicContact CB-CE1 3.81Å; K60-Y87 HydrophobicContact CD-CE1 4.03Å; K60-Y87 CarbonylContact O-C 3.58Å; K60-Y87 WeakPolarHBondContact O-CA 3.43Å; K60-L88 PolarHBondContact O-N 3.16Å
61I98.5Very high97.6Very high109 Ų10977.4 Ų77.456%0.55942%0.416SS*.EExtended strand (participates in β ladder)trans-106.2128.4-177.4-53.5179.1000109L59 L88 L90L59-I61 HydrophobicContact CD2-CG1 4.33Å; L59-I61 HydrophobicContact CG-CG1 4.45Å; I61-L88 CarbonylContact C-O 3.57Å; I61-L88 VanDerWaalsContact CA-O 3.28Å; I61-L88 WeakPolarHBondContact CA-O 3.32Å; I61-L88 HydrophobicContact CD1-CD2 4.45Å; I61-L88 HydrophobicContact CG1-CB 4.41Å; I61-L88 HydrophobicContact CG1-CD2 4.37Å; I61-L90 HydrophobicContact CG2-CD1 3.9Å; I61-L90 HydrophobicContact CG2-CD2 3.79Å; I61-L90 HydrophobicContact CG2-CG 3.82Å
62C98.4Very high97.6Very high11 Ų1169 Ų697%0.07437%0.372CS..EExtended strand (participates in β ladder)trans-120.7133.1-176.2-57.90000110.2L75 L88 F89 L90C62-L75 HydrophobicContact CB-CD1 4.24Å; C62-L88 PolarHBondContact N-O 3.03Å; C62-F89 HydrophobicContact CB-CD1 3.49Å; C62-F89 VanDerWaalsContact CB-CD1 3.49Å; C62-F89 HydrophobicContact CB-CD2 4.42Å; C62-F89 HydrophobicContact CB-CE1 3.53Å; C62-F89 HydrophobicContact CB-CE2 4.44Å; C62-F89 HydrophobicContact CB-CG 3.94Å; C62-F89 HydrophobicContact CB-CZ 4.02Å; C62-F89 CarbonylContact O-C 3.24Å; C62-F89 WeakPolarHBondContact O-CA 3.46Å; C62-L90 WeakPolarHBondContact O-CG 3.41Å; C62-L90 PolarHBondContact O-N 2.9Å
63G98.3Very high97.6Very high35 Ų3562.7 Ų62.736%0.36134%0.34SS..  trans-82.2-154.2173.400000112.6
64D97.8Very high97.5Very high103 Ų10367.4 Ų67.455%0.55135%0.354SS*.  trans-57.2142-176.2-44.3-1.7000112.2D92D64-D92 HydrophobicContact CB-CB 3.94Å
65I98.1Very high97.5Very high15 Ų1561.5 Ų61.58%0.07733%0.328CS..  trans-117.1-36.1178.3-53.9-62.6000111.5G67 Q68 L72 F89 D92 T103I65-G67 PolarHBondContact O-N 3.46Å; I65-Q68 WeakPolarHBondContact O-CB 3.43Å; I65-Q68 WeakPolarHBondContact O-CG 3.41Å; I65-Q68 PolarHBondContact O-N 3.45Å; I65-L72 HydrophobicContact CD1-CD1 4.24Å; I65-L72 HydrophobicContact CG2-CB 4.05Å; I65-F89 HydrophobicContact CD1-CD1 4.3Å; I65-F89 HydrophobicContact CD1-CE1 3.95Å; I65-F89 HydrophobicContact CG1-CD1 4.07Å; I65-F89 HydrophobicContact CG1-CE1 4.04Å; I65-D92 PolarHBondContact N-O 3.48Å; I65-T103 HydrophobicContact CB-CG2 4.2Å; I65-T103 HydrophobicContact CG2-CG2 3.55Å
66H98.1Very high97.6Very high21 Ų2158.7 Ų58.710%0.09731%0.314CS..THydrogen-bonded Turntrans45.453.7175.6-76.4-50.5000114.2Q68 D92 V94 D95 R96 G97 H125H66-Q68 PolarHBondContact O-N 2.99Å; H66-D92 IonicContact CE1-OD2 3.59Å; H66-D92 PolarHBondContact N-O 3.44Å; H66-D92 IonicContact NE2-OD2 2.62Å; H66-V94 PolarHBondContact ND1-O 2.98Å; H66-D95 CarbonylContact C-O 3.58Å; H66-D95 VanDerWaalsContact C-O 3.24Å; H66-D95 WeakPolarHBondContact CA-O 3.39Å; H66-D95 WeakPolarHBondContact CB-O 3.15Å; H66-R96 HydrophobicContact CB-CB 4.36Å; H66-G97 WeakPolarHBondContact O-CA 3.2Å; H66-G97 PolarHBondContact O-N 2.96Å; H66-H125 AromaticContact CE1-CD2 3.52Å; H66-H125 AromaticContact CE1-CG 3.81Å; H66-H125 AromaticContact CE1-NE2 3.7Å
67G97.1Very high97.6Very high3 Ų354.8 Ų54.83%0.03130%0.295CS..THydrogen-bonded Turntrans61.715.3176.900000115.4I65 Y69 Y93 Q99 T103I65-G67 PolarHBondContact O-N 3.46Å; G67-Y69 PolarHBondContact O-N 3.22Å; G67-Y93 PolarHBondContact N-O 2.62Å; G67-Q99 CarbonylContact O-C 3.54Å; G67-Q99 PolarHBondContact O-N 2.61Å; G67-T103 WeakPolarHBondContact CA-OG1 3.42Å
68Q97.8Very high97.6Very high106 Ų10658.9 Ų58.950%0.49529%0.292SS..  trans-80.164.5173.9-66-175-132.200110.9I65 H66 Y70 D71 L72I65-Q68 WeakPolarHBondContact O-CB 3.43Å; I65-Q68 WeakPolarHBondContact O-CG 3.41Å; I65-Q68 PolarHBondContact O-N 3.45Å; H66-Q68 PolarHBondContact O-N 2.99Å; Q68-Y70 VanDerWaalsContact C-N 3.34Å; Q68-Y70 PolarHBondContact O-N 3.37Å; Q68-D71 HydrophobicContact CB-CB 4.07Å; Q68-D71 WeakPolarHBondContact CB-OD2 3.41Å; Q68-D71 PolarHBondContact NE2-OD2 3.12Å; Q68-D71 WeakPolarHBondContact O-CB 3.49Å; Q68-D71 PolarHBondContact O-N 3.11Å; Q68-L72 PolarHBondContact O-N 3.37Å
69Y98.3Very high97.6Very high2 Ų254.4 Ų54.41%0.00827%0.266CS..Hα-helixtrans-56.7-41.6-168.6-175.7-121.8000114.5L16 V19 G67 D71 L72 L73 E102 L106L16-Y69 WeakPolarHBondContact CB-OH 3.48Å; L16-Y69 PolarHBondContact O-OH 3.44Å; V19-Y69 HydrophobicContact CG2-CD1 4.47Å; V19-Y69 HydrophobicContact CG2-CE1 3.68Å; G67-Y69 PolarHBondContact O-N 3.22Å; Y69-D71 VanDerWaalsContact C-N 3.31Å; Y69-D71 PolarHBondContact O-N 3.2Å; Y69-L72 HydrophobicContact CD2-CD2 4.46Å; Y69-L72 WeakPolarHBondContact O-CB 3.34Å; Y69-L72 PolarHBondContact O-N 2.93Å; Y69-L73 HydrophobicContact CD1-CD1 4.22Å; Y69-L73 HydrophobicContact CE1-CD1 3.77Å; Y69-L73 HydrophobicContact CE1-CG 4.22Å; Y69-L73 HydrophobicContact CE2-CD2 4.29Å; Y69-L73 HydrophobicContact CE2-CG 4.41Å; Y69-L73 WeakPolarHBondContact O-CG 3.45Å; Y69-L73 PolarHBondContact O-N 3.03Å; Y69-E102 HydrophobicContact CD1-CB 3.76Å; Y69-E102 HydrophobicContact CD1-CG 4.39Å; Y69-E102 HydrophobicContact CD2-CB 3.71Å; Y69-E102 HydrophobicContact CE1-CB 3.86Å; Y69-E102 HydrophobicContact CE1-CG 4.37Å; Y69-E102 HydrophobicContact CE2-CB 3.81Å; Y69-E102 WeakPolarHBondContact CE2-O 3.03Å; Y69-E102 HydrophobicContact CG-CB 3.69Å; Y69-L106 HydrophobicContact CE2-CB 4Å; Y69-L106 HydrophobicContact CE2-CD2 3.72Å
70Y97.5Very high97.6Very high33 Ų3352.4 Ų52.413%0.12926%0.257CS..Hα-helixtrans-69-30.3178.6-82.9-96.9000113V19 K23 P24 Q68 L73 R74V19-Y70 WeakPolarHBondContact O-CE1 3.31Å; V19-Y70 PolarHBondContact O-OH 3.38Å; K23-Y70 PolarHBondContact O-OH 3.01Å; K23-Y70 VanDerWaalsContact O-OH 3.11Å; P24-Y70 HydrophobicContact CB-CD1 4.15Å; P24-Y70 HydrophobicContact CB-CD2 4.18Å; P24-Y70 HydrophobicContact CB-CE1 4.44Å; P24-Y70 HydrophobicContact CB-CE2 4.48Å; P24-Y70 HydrophobicContact CB-CG 4.01Å; P24-Y70 HydrophobicContact CG-CD1 4.1Å; P24-Y70 HydrophobicContact CG-CE1 4.39Å; P24-Y70 HydrophobicContact CG-CG 4.41Å; Q68-Y70 VanDerWaalsContact C-N 3.34Å; Q68-Y70 PolarHBondContact O-N 3.37Å; Y70-L73 PolarHBondContact O-N 3.11Å; Y70-R74 WeakPolarHBondContact O-CB 3.22Å; Y70-R74 PolarHBondContact O-N 3.35Å
71D97.4Very high97.5Very high87 Ų8750.5 Ų50.547%0.46525%0.249SC..Hα-helixtrans-72.3-35.8173.9-62.1-48.7000110.6Q68 Y69 R74 L75Q68-D71 HydrophobicContact CB-CB 4.07Å; Q68-D71 WeakPolarHBondContact CB-OD2 3.41Å; Q68-D71 PolarHBondContact NE2-OD2 3.12Å; Q68-D71 WeakPolarHBondContact O-CB 3.49Å; Q68-D71 PolarHBondContact O-N 3.11Å; Y69-D71 VanDerWaalsContact C-N 3.31Å; Y69-D71 PolarHBondContact O-N 3.2Å; D71-R74 PolarHBondContact O-N 2.96Å; D71-L75 WeakPolarHBondContact O-CB 3.5Å; D71-L75 PolarHBondContact O-N 3.48Å
72L98Very high97.4Very high0 Ų045.7 Ų45.70%023%0.225CC..Hα-helixtrans-60.9-45.1170.1176.864.7000112I65 Q68 Y69 R74 L75 F76 F89 T103 L106 L107I65-L72 HydrophobicContact CD1-CD1 4.24Å; I65-L72 HydrophobicContact CG2-CB 4.05Å; Q68-L72 PolarHBondContact O-N 3.37Å; Y69-L72 HydrophobicContact CD2-CD2 4.46Å; Y69-L72 WeakPolarHBondContact O-CB 3.34Å; Y69-L72 PolarHBondContact O-N 2.93Å; L72-R74 VanDerWaalsContact C-N 3.32Å; L72-R74 PolarHBondContact O-N 2.76Å; L72-L75 WeakPolarHBondContact O-CB 3.48Å; L72-L75 PolarHBondContact O-N 3.41Å; L72-F76 HydrophobicContact CD1-CD2 4.22Å; L72-F76 HydrophobicContact CD1-CE2 3.53Å; L72-F76 HydrophobicContact CD1-CZ 3.71Å; L72-F76 HydrophobicContact CD2-CE2 4.15Å; L72-F76 HydrophobicContact CG-CD2 4.17Å; L72-F76 HydrophobicContact CG-CE2 3.64Å; L72-F76 HydrophobicContact CG-CZ 4.32Å; L72-F76 WeakPolarHBondContact O-CD2 3.01Å; L72-F76 PolarHBondContact O-N 2.96Å; L72-F76 VanDerWaalsContact O-N 3.09Å; L72-F89 HydrophobicContact CD1-CE1 3.64Å; L72-F89 HydrophobicContact CD1-CZ 3.73Å; L72-T103 HydrophobicContact CD2-CG2 4.07Å; L72-L106 HydrophobicContact CD2-CD2 4.31Å; L72-L107 HydrophobicContact CD1-CD2 4.21Å; L72-L107 HydrophobicContact CD2-CD2 3.99Å; L72-L107 HydrophobicContact CD2-CG 4.12Å
73L97.6Very high97.3Very high2 Ų248.7 Ų48.71%0.0124%0.244CC..Hα-helixtrans-60.5-43.6176-67179.5000111.4L17 V19 R20 Y69 Y70 L75 F76 E77 L106L17-L73 HydrophobicContact CD2-CD2 3.69Å; V19-L73 HydrophobicContact CG2-CD1 4.47Å; R20-L73 HydrophobicContact CB-CD1 4.13Å; Y69-L73 HydrophobicContact CD1-CD1 4.22Å; Y69-L73 HydrophobicContact CE1-CD1 3.77Å; Y69-L73 HydrophobicContact CE1-CG 4.22Å; Y69-L73 HydrophobicContact CE2-CD2 4.29Å; Y69-L73 HydrophobicContact CE2-CG 4.41Å; Y69-L73 WeakPolarHBondContact O-CG 3.45Å; Y69-L73 PolarHBondContact O-N 3.03Å; Y70-L73 PolarHBondContact O-N 3.11Å; L73-L75 VanDerWaalsContact C-N 3.33Å; L73-L75 PolarHBondContact O-N 3.19Å; L73-F76 PolarHBondContact O-N 3.29Å; L73-E77 WeakPolarHBondContact O-CG 3.39Å; L73-E77 PolarHBondContact O-N 2.85Å; L73-L106 HydrophobicContact CD2-CD2 3.77Å
74R96.9Very high97.2Very high141 Ų14154.3 Ų54.353%0.53226%0.261SS..Hα-helixtrans-64.7-37.4176.1-170.1174.8-1761674112.1Y70 D71 L72 F76 E77 Y78Y70-R74 WeakPolarHBondContact O-CB 3.22Å; Y70-R74 PolarHBondContact O-N 3.35Å; D71-R74 PolarHBondContact O-N 2.96Å; L72-R74 VanDerWaalsContact C-N 3.32Å; L72-R74 PolarHBondContact O-N 2.76Å; R74-F76 VanDerWaalsContact C-N 3.3Å; R74-F76 PolarHBondContact O-N 3.1Å; R74-E77 WeakPolarHBondContact O-CB 3.39Å; R74-E77 PolarHBondContact O-N 3.32Å; R74-Y78 HydrophobicContact CG-CD2 3.95Å; R74-Y78 HydrophobicContact CG-CE2 3.96Å; R74-Y78 WeakPolarHBondContact O-CD2 3.27Å; R74-Y78 PolarHBondContact O-N 3.08Å
75L97.9Very high97.2Very high54 Ų5450.5 Ų50.528%0.28324%0.243SC..Hα-helixtrans-57.8-45.1174-177.5158.2000110.5C62 D71 L72 L73 Y78 G79 Y87C62-L75 HydrophobicContact CB-CD1 4.24Å; D71-L75 WeakPolarHBondContact O-CB 3.5Å; D71-L75 PolarHBondContact O-N 3.48Å; L72-L75 WeakPolarHBondContact O-CB 3.48Å; L72-L75 PolarHBondContact O-N 3.41Å; L73-L75 VanDerWaalsContact C-N 3.33Å; L73-L75 PolarHBondContact O-N 3.19Å; L75-Y78 PolarHBondContact O-N 2.65Å; L75-G79 WeakPolarHBondContact O-CA 3.48Å; L75-G79 PolarHBondContact O-N 3.48Å; L75-Y87 HydrophobicContact CD2-CD1 4.46Å; L75-Y87 HydrophobicContact CD2-CE1 3.71Å
76F97.8Very high97.2Very high0 Ų051.6 Ų51.60%025%0.249CC..Hα-helixtrans-68.7-34.4176-66.7-48.2000113.5L72 L73 R74 Y78 G79 G80 F81 P82 Y87 F89 L106 L107 Y110 F118L72-F76 HydrophobicContact CD1-CD2 4.22Å; L72-F76 HydrophobicContact CD1-CE2 3.53Å; L72-F76 HydrophobicContact CD1-CZ 3.71Å; L72-F76 HydrophobicContact CD2-CE2 4.15Å; L72-F76 HydrophobicContact CG-CD2 4.17Å; L72-F76 HydrophobicContact CG-CE2 3.64Å; L72-F76 HydrophobicContact CG-CZ 4.32Å; L72-F76 WeakPolarHBondContact O-CD2 3.01Å; L72-F76 PolarHBondContact O-N 2.96Å; L72-F76 VanDerWaalsContact O-N 3.09Å; L73-F76 PolarHBondContact O-N 3.29Å; R74-F76 VanDerWaalsContact C-N 3.3Å; R74-F76 PolarHBondContact O-N 3.1Å; F76-Y78 VanDerWaalsContact C-N 3.33Å; F76-Y78 PolarHBondContact O-N 3.06Å; F76-G79 PolarHBondContact O-N 2.79Å; F76-G80 CarbonylContact O-C 3.56Å; F76-G80 VanDerWaalsContact O-CA 3.32Å; F76-G80 WeakPolarHBondContact O-CA 3.48Å; F76-G80 PolarHBondContact O-N 2.95Å; F76-F81 HydrophobicContact CB-CD1 3.55Å; F76-F81 HydrophobicContact CB-CD2 4.41Å; F76-F81 HydrophobicContact CB-CE1 3.46Å; F76-F81 VanDerWaalsContact CB-CE1 3.46Å; F76-F81 HydrophobicContact CB-CE2 4.33Å; F76-F81 HydrophobicContact CB-CG 4.04Å; F76-F81 HydrophobicContact CB-CZ 3.88Å; F76-F81 HydrophobicContact CD2-CE1 4.4Å; F76-F81 HydrophobicContact CG-CD1 4.21Å; F76-F81 HydrophobicContact CG-CE1 4.3Å; F76-P82 HydrophobicContact CE1-CG 4.33Å; F76-Y87 HydrophobicContact CD1-CE1 4.07Å; F76-Y87 AromaticContact CD1-CE2 3.93Å; F76-Y87 HydrophobicContact CD1-CE2 3.93Å; F76-Y87 AromaticContact CD1-CZ 3.66Å; F76-Y87 HydrophobicContact CE1-CD1 4.19Å; F76-Y87 HydrophobicContact CE1-CD2 4.18Å; F76-Y87 HydrophobicContact CE1-CE1 4.03Å; F76-Y87 HydrophobicContact CE1-CE2 4.01Å; F76-Y87 HydrophobicContact CE1-CG 4.26Å; F76-Y87 AromaticContact CE1-CZ 3.93Å; F76-F89 HydrophobicContact CE1-CE2 4.2Å; F76-F89 AromaticContact CE1-CZ 3.89Å; F76-F89 HydrophobicContact CE1-CZ 3.89Å; F76-F89 HydrophobicContact CZ-CE2 4.16Å; F76-F89 AromaticContact CZ-CZ 3.73Å; F76-F89 HydrophobicContact CZ-CZ 3.73Å; F76-L106 HydrophobicContact CD2-CD2 4.44Å; F76-L106 HydrophobicContact CE2-CD2 4.08Å; F76-L107 HydrophobicContact CZ-CD2 4.31Å; F76-Y110 HydrophobicContact CD2-CE2 4.3Å; F76-Y110 HydrophobicContact CE2-CD2 4.25Å; F76-Y110 AromaticContact CE2-CE2 3.89Å; F76-Y110 HydrophobicContact CE2-CE2 3.89Å; F76-Y110 HydrophobicContact CZ-CD2 4.25Å; F76-Y110 HydrophobicContact CZ-CE2 4.23Å; F76-F118 AromaticContact CE1-CE2 3.94Å; F76-F118 HydrophobicContact CE1-CE2 3.94Å; F76-F118 HydrophobicContact CE1-CZ 4.38Å; F76-F118 AromaticContact CZ-CE2 3.93Å; F76-F118 HydrophobicContact CZ-CE2 3.93Å; F76-F118 AromaticContact CZ-CZ 3.95Å; F76-F118 HydrophobicContact CZ-CZ 3.95Å
77E96.1Very high97.2Very high94 Ų9450.7 Ų50.744%0.43924%0.244SC..Hα-helixtrans-60.7-41.9173.5-71.9170.7-175.200112.6R20 L73 R74 F81R20-E77 WeakPolarHBondContact CD-OE1 3.37Å; R20-E77 WeakPolarHBondContact CG-OE1 3.47Å; L73-E77 WeakPolarHBondContact O-CG 3.39Å; L73-E77 PolarHBondContact O-N 2.85Å; R74-E77 WeakPolarHBondContact O-CB 3.39Å; R74-E77 PolarHBondContact O-N 3.32Å; E77-F81 HydrophobicContact CB-CE2 4.43Å; E77-F81 HydrophobicContact CG-CE2 3.9Å; E77-F81 HydrophobicContact CG-CZ 3.9Å
78Y96.7Very high97.3Very high177 Ų17751.6 Ų51.669%0.69425%0.248SC*.Hα-helixtrans-78.9-35.1177.9-86.1-98.2000112.4R74 L75 F76R74-Y78 HydrophobicContact CG-CD2 3.95Å; R74-Y78 HydrophobicContact CG-CE2 3.96Å; R74-Y78 WeakPolarHBondContact O-CD2 3.27Å; R74-Y78 PolarHBondContact O-N 3.08Å; L75-Y78 PolarHBondContact O-N 2.65Å; F76-Y78 VanDerWaalsContact C-N 3.33Å; F76-Y78 PolarHBondContact O-N 3.06Å
79G95.8Very high97.4Very high13 Ų1346.5 Ų46.513%0.13423%0.225CC..Hα-helixtrans-85.3-19-174.500000114.2K60 L75 F76 S85 Y87K60-G79 WeakPolarHBondContact CD-O 3.48Å; K60-G79 WeakPolarHBondContact CE-O 3.45Å; K60-G79 PolarHBondContact NZ-O 3.09Å; L75-G79 WeakPolarHBondContact O-CA 3.48Å; L75-G79 PolarHBondContact O-N 3.48Å; F76-G79 PolarHBondContact O-N 2.79Å; G79-S85 PolarHBondContact O-OG 2.89Å; G79-S85 VanDerWaalsContact O-OG 3.11Å; G79-Y87 VanDerWaalsContact CA-OH 3.27Å; G79-Y87 WeakPolarHBondContact CA-OH 3.41Å; G79-Y87 PolarHBondContact O-OH 2.85Å
80G97.3Very high97.4Very high8 Ų850.3 Ų50.38%0.08225%0.245CC..  trans90.4131.7-165.800000110.4F76 E84 Y87F76-G80 CarbonylContact O-C 3.56Å; F76-G80 VanDerWaalsContact O-CA 3.32Å; F76-G80 WeakPolarHBondContact O-CA 3.48Å; F76-G80 PolarHBondContact O-N 2.95Å; G80-E84 WeakPolarHBondContact CA-OE2 3.43Å; G80-Y87 VanDerWaalsContact O-CE2 3.26Å; G80-Y87 WeakPolarHBondContact O-CE2 3.35Å; G80-Y87 PolarHBondContact O-OH 2.71Å
81F96.8Very high97.4Very high46 Ų4648.8 Ų48.820%0.20224%0.239CC..  trans-75.2143.8-179.9-75.6-91.8000110.5L17 F76 E77 E84 Y110L17-F81 HydrophobicContact CD2-CD1 4.32Å; L17-F81 HydrophobicContact CD2-CE1 3.79Å; F76-F81 HydrophobicContact CB-CD1 3.55Å; F76-F81 HydrophobicContact CB-CD2 4.41Å; F76-F81 HydrophobicContact CB-CE1 3.46Å; F76-F81 VanDerWaalsContact CB-CE1 3.46Å; F76-F81 HydrophobicContact CB-CE2 4.33Å; F76-F81 HydrophobicContact CB-CG 4.04Å; F76-F81 HydrophobicContact CB-CZ 3.88Å; F76-F81 HydrophobicContact CD2-CE1 4.4Å; F76-F81 HydrophobicContact CG-CD1 4.21Å; F76-F81 HydrophobicContact CG-CE1 4.3Å; E77-F81 HydrophobicContact CB-CE2 4.43Å; E77-F81 HydrophobicContact CG-CE2 3.9Å; E77-F81 HydrophobicContact CG-CZ 3.9Å; F81-E84 WeakPolarHBondContact O-CA 3.35Å; F81-E84 WeakPolarHBondContact O-CB 3.44Å; F81-E84 PolarHBondContact O-N 2.87Å; F81-Y110 WeakPolarHBondContact CD1-OH 3.41Å
82P95.6Very high97.4Very high8 Ų845.1 Ų45.15%0.05222%0.219CC..THydrogen-bonded Turntrans-54.1133.6171.8-24.733.8000111.4F76 Y87 Y110 Y114 F118F76-P82 HydrophobicContact CE1-CG 4.33Å; P82-Y87 HydrophobicContact CG-CD2 3.97Å; P82-Y87 HydrophobicContact CG-CE2 4.12Å; P82-Y110 HydrophobicContact CB-CD1 3.89Å; P82-Y110 HydrophobicContact CB-CE1 4.03Å; P82-Y110 HydrophobicContact CB-CG 4.34Å; P82-Y110 HydrophobicContact CG-CD1 4.03Å; P82-Y110 HydrophobicContact CG-CD2 4.15Å; P82-Y110 HydrophobicContact CG-CE1 4.11Å; P82-Y110 HydrophobicContact CG-CE2 4.22Å; P82-Y110 HydrophobicContact CG-CG 4.06Å; P82-Y114 HydrophobicContact CB-CD2 3.62Å; P82-Y114 HydrophobicContact CB-CE2 3.84Å; P82-Y114 WeakPolarHBondContact O-CE2 3.29Å; P82-F118 HydrophobicContact CB-CD2 4.2Å; P82-F118 HydrophobicContact CG-CD2 3.6Å; P82-F118 HydrophobicContact CG-CE2 3.64Å
83P96.3Very high97.5Very high75 Ų7545.5 Ų45.549%0.48722%0.221SC..THydrogen-bonded Turncis-9813.911.538.8-32.1000114.4S85 Y114P83-S85 PolarHBondContact O-N 3Å; P83-Y114 HydrophobicContact CB-CD1 3.86Å; P83-Y114 HydrophobicContact CB-CE1 3.8Å; P83-Y114 HydrophobicContact CB-CG 4.33Å; P83-Y114 HydrophobicContact CG-CD1 4.33Å; P83-Y114 HydrophobicContact CG-CE1 3.75Å
84E97Very high97.5Very high152 Ų15245.6 Ų45.671%0.7122%0.221SC*.SBendtrans-59-28.2179.4-169.3-174.3169.400112.4G80 F81G80-E84 WeakPolarHBondContact CA-OE2 3.43Å; F81-E84 WeakPolarHBondContact O-CA 3.35Å; F81-E84 WeakPolarHBondContact O-CB 3.44Å; F81-E84 PolarHBondContact O-N 2.87Å
85S97.3Very high97.5Very high24 Ų2438.9 Ų38.917%0.16820%0.196CC..SBendtrans-139.7143.7175.2-72.70000110.9K60 G79 P83 Y87K60-S85 VanDerWaalsContact CE-OG 3.23Å; K60-S85 WeakPolarHBondContact CE-OG 3.08Å; G79-S85 PolarHBondContact O-OG 2.89Å; G79-S85 VanDerWaalsContact O-OG 3.11Å; P83-S85 PolarHBondContact O-N 3Å; S85-Y87 VanDerWaalsContact O-CD2 3.23Å; S85-Y87 WeakPolarHBondContact O-CD2 3.02Å; S85-Y87 WeakPolarHBondContact O-CE2 3.26Å
86N98.3Very high97.2Very high38 Ų3844.4 Ų44.420%0.20321%0.213CC..  trans-79.7140.3173.3-56.7-35.9000109.6P58 L59 K60 N117P58-N86 WeakPolarHBondContact O-CB 3.49Å; P58-N86 PolarHBondContact O-ND2 3.44Å; L59-N86 HydrophobicContact CD1-CB 3.69Å; K60-N86 PolarHBondContact N-O 3.41Å; N86-N117 CarbonylContact C-O 3.19Å; N86-N117 WeakPolarHBondContact CA-O 2.86Å; N86-N117 WeakPolarHBondContact OD1-CB 3.1Å; N86-N117 PolarHBondContact OD1-ND2 3.17Å
87Y98.8Very high97Very high1 Ų145.6 Ų45.60%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-126.9141-178.4-74.9-89.1000112.9K60 L75 F76 G79 G80 P82 S85 F89 N117 F118 F119K60-Y87 HydrophobicContact CB-CD1 3.85Å; K60-Y87 HydrophobicContact CB-CE1 3.81Å; K60-Y87 HydrophobicContact CD-CE1 4.03Å; K60-Y87 CarbonylContact O-C 3.58Å; K60-Y87 WeakPolarHBondContact O-CA 3.43Å; L75-Y87 HydrophobicContact CD2-CD1 4.46Å; L75-Y87 HydrophobicContact CD2-CE1 3.71Å; F76-Y87 HydrophobicContact CD1-CE1 4.07Å; F76-Y87 AromaticContact CD1-CE2 3.93Å; F76-Y87 HydrophobicContact CD1-CE2 3.93Å; F76-Y87 AromaticContact CD1-CZ 3.66Å; F76-Y87 HydrophobicContact CE1-CD1 4.19Å; F76-Y87 HydrophobicContact CE1-CD2 4.18Å; F76-Y87 HydrophobicContact CE1-CE1 4.03Å; F76-Y87 HydrophobicContact CE1-CE2 4.01Å; F76-Y87 HydrophobicContact CE1-CG 4.26Å; F76-Y87 AromaticContact CE1-CZ 3.93Å; G79-Y87 VanDerWaalsContact CA-OH 3.27Å; G79-Y87 WeakPolarHBondContact CA-OH 3.41Å; G79-Y87 PolarHBondContact O-OH 2.85Å; G80-Y87 VanDerWaalsContact O-CE2 3.26Å; G80-Y87 WeakPolarHBondContact O-CE2 3.35Å; G80-Y87 PolarHBondContact O-OH 2.71Å; P82-Y87 HydrophobicContact CG-CD2 3.97Å; P82-Y87 HydrophobicContact CG-CE2 4.12Å; S85-Y87 VanDerWaalsContact O-CD2 3.23Å; S85-Y87 WeakPolarHBondContact O-CD2 3.02Å; S85-Y87 WeakPolarHBondContact O-CE2 3.26Å; Y87-F89 HydrophobicContact CD1-CE2 4.03Å; Y87-F89 HydrophobicContact CD1-CZ 4.39Å; Y87-F89 HydrophobicContact CG-CE2 4.15Å; Y87-N117 PolarHBondContact N-O 3.45Å; Y87-F118 HydrophobicContact CD2-CD2 4.2Å; Y87-F118 HydrophobicContact CD2-CE2 4.1Å; Y87-F118 HydrophobicContact CG-CD2 4.33Å; Y87-F118 HydrophobicContact CG-CE2 4.06Å; Y87-F119 WeakPolarHBondContact O-CD2 3.33Å; Y87-F119 PolarHBondContact O-N 3.38Å
88L98.7Very high96.8Very high22 Ų2249.9 Ų49.912%0.11524%0.242CC..EExtended strand (participates in β ladder)trans-124.9114.8165.7173.467.2000108.8L55 L59 K60 I61 C62 L90 F119 L121L55-L88 HydrophobicContact CD1-CB 4.43Å; L55-L88 HydrophobicContact CD1-CD1 3.97Å; L55-L88 HydrophobicContact CD1-CD2 4.23Å; L55-L88 HydrophobicContact CD1-CG 4.45Å; L59-L88 HydrophobicContact CD1-CB 4.16Å; L59-L88 HydrophobicContact CD2-CB 3.78Å; L59-L88 HydrophobicContact CD2-CD2 4.1Å; L59-L88 HydrophobicContact CG-CB 4.09Å; K60-L88 PolarHBondContact O-N 3.16Å; I61-L88 CarbonylContact C-O 3.57Å; I61-L88 VanDerWaalsContact CA-O 3.28Å; I61-L88 WeakPolarHBondContact CA-O 3.32Å; I61-L88 HydrophobicContact CD1-CD2 4.45Å; I61-L88 HydrophobicContact CG1-CB 4.41Å; I61-L88 HydrophobicContact CG1-CD2 4.37Å; C62-L88 PolarHBondContact N-O 3.03Å; L88-L90 HydrophobicContact CD2-CD2 4.44Å; L88-L90 HydrophobicContact CG-CD2 4.44Å; L88-F119 WeakPolarHBondContact CA-O 3.33Å; L88-F119 HydrophobicContact CD1-CB 3.74Å; L88-L121 HydrophobicContact CD1-CD1 4.17Å; L88-L121 HydrophobicContact CD1-CD2 4.07Å; L88-L121 HydrophobicContact CD1-CG 3.76Å
89F98.8Very high96.8Very high0 Ų041.8 Ų41.80%021%0.211CC..EExtended strand (participates in β ladder)trans-96143.9171.2-67.8-109.2000111.4C62 I65 L72 F76 Y87 Y93 L107 F118 F119 L120 L121C62-F89 HydrophobicContact CB-CD1 3.49Å; C62-F89 VanDerWaalsContact CB-CD1 3.49Å; C62-F89 HydrophobicContact CB-CD2 4.42Å; C62-F89 HydrophobicContact CB-CE1 3.53Å; C62-F89 HydrophobicContact CB-CE2 4.44Å; C62-F89 HydrophobicContact CB-CG 3.94Å; C62-F89 HydrophobicContact CB-CZ 4.02Å; C62-F89 CarbonylContact O-C 3.24Å; C62-F89 WeakPolarHBondContact O-CA 3.46Å; I65-F89 HydrophobicContact CD1-CD1 4.3Å; I65-F89 HydrophobicContact CD1-CE1 3.95Å; I65-F89 HydrophobicContact CG1-CD1 4.07Å; I65-F89 HydrophobicContact CG1-CE1 4.04Å; L72-F89 HydrophobicContact CD1-CE1 3.64Å; L72-F89 HydrophobicContact CD1-CZ 3.73Å; F76-F89 HydrophobicContact CE1-CE2 4.2Å; F76-F89 AromaticContact CE1-CZ 3.89Å; F76-F89 HydrophobicContact CE1-CZ 3.89Å; F76-F89 HydrophobicContact CZ-CE2 4.16Å; F76-F89 AromaticContact CZ-CZ 3.73Å; F76-F89 HydrophobicContact CZ-CZ 3.73Å; Y87-F89 HydrophobicContact CD1-CE2 4.03Å; Y87-F89 HydrophobicContact CD1-CZ 4.39Å; Y87-F89 HydrophobicContact CG-CE2 4.15Å; F89-Y93 HydrophobicContact CB-CE1 3.6Å; F89-Y93 HydrophobicContact CD1-CE1 4.37Å; F89-Y93 HydrophobicContact CG-CE1 4.26Å; F89-L107 HydrophobicContact CD1-CD2 4.35Å; F89-L107 HydrophobicContact CD2-CD2 4.29Å; F89-L107 HydrophobicContact CE1-CD2 4.01Å; F89-L107 HydrophobicContact CE2-CD2 3.96Å; F89-L107 HydrophobicContact CZ-CD2 3.82Å; F89-F118 HydrophobicContact CD2-CE1 4.38Å; F89-F118 AromaticContact CD2-CZ 3.96Å; F89-F118 HydrophobicContact CD2-CZ 3.96Å; F89-F118 HydrophobicContact CE2-CE1 4.27Å; F89-F118 AromaticContact CE2-CE2 3.79Å; F89-F118 HydrophobicContact CE2-CE2 3.79Å; F89-F118 AromaticContact CE2-CZ 3.43Å; F89-F118 HydrophobicContact CE2-CZ 3.43Å; F89-F118 VanDerWaalsContact CE2-CZ 3.43Å; F89-F118 HydrophobicContact CZ-CZ 4.27Å; F89-F119 PolarHBondContact N-O 3.08Å; F89-L120 HydrophobicContact CB-CD2 3.75Å; F89-L120 HydrophobicContact CD2-CD2 3.8Å; F89-L120 HydrophobicContact CG-CD2 3.93Å; F89-L121 WeakPolarHBondContact O-CB 3.35Å; F89-L121 WeakPolarHBondContact O-CG 3.17Å; F89-L121 PolarHBondContact O-N 3.2Å
90L98.8Very high96.9Very high82 Ų8241.2 Ų41.243%0.42921%0.205SC..  trans-91.5-1.4-172-59.8-178.8000114.7I61 C62 L88 L121I61-L90 HydrophobicContact CG2-CD1 3.9Å; I61-L90 HydrophobicContact CG2-CD2 3.79Å; I61-L90 HydrophobicContact CG2-CG 3.82Å; C62-L90 WeakPolarHBondContact O-CG 3.41Å; C62-L90 PolarHBondContact O-N 2.9Å; L88-L90 HydrophobicContact CD2-CD2 4.44Å; L88-L90 HydrophobicContact CG-CD2 4.44Å; L90-L121 HydrophobicContact CD2-CD1 3.92Å
91G98.2Very high97Very high0 Ų042.9 Ų42.90%021%0.212CC..SBendtrans116.3-168-178.100000113.1Y93G91-Y93 PolarHBondContact N-OH 2.9Å
92D97.9Very high97Very high11 Ų1141.3 Ų41.36%0.05921%0.205CC..  trans55.857174.7-74.18000112.4D64 I65 H66 G123 N124 H125 E126D64-D92 HydrophobicContact CB-CB 3.94Å; I65-D92 PolarHBondContact N-O 3.48Å; H66-D92 IonicContact CE1-OD2 3.59Å; H66-D92 PolarHBondContact N-O 3.44Å; H66-D92 IonicContact NE2-OD2 2.62Å; D92-G123 WeakPolarHBondContact OD1-CA 3.43Å; D92-N124 PolarHBondContact OD1-N 3.34Å; D92-N124 PolarHBondContact OD2-OD1 3.1Å; D92-H125 WeakPolarHBondContact OD1-CB 3.49Å; D92-H125 IonicContact OD1-CD2 3.76Å; D92-H125 IonicContact OD1-CG 3.58Å; D92-H125 PolarHBondContact OD1-N 3.46Å; D92-H125 IonicContact OD2-CD2 2.74Å; D92-H125 PolarHBondContact OD2-CD2 3.42Å; D92-E126 WeakPolarHBondContact CA-OE1 3.21Å; D92-E126 PolarHBondContact N-OE1 3.43Å; D92-E126 PolarHBondContact N-OE2 2.96Å
93Y98.5Very high97.2Very high7 Ų741 Ų413%0.02720%0.203CC..  trans-83-36-177.5-49.1-59.2000112.5G67 F89 G91 T103 I104 L107 L120 L121 E126G67-Y93 PolarHBondContact N-O 2.62Å; F89-Y93 HydrophobicContact CB-CE1 3.6Å; F89-Y93 HydrophobicContact CD1-CE1 4.37Å; F89-Y93 HydrophobicContact CG-CE1 4.26Å; G91-Y93 PolarHBondContact N-OH 2.9Å; Y93-T103 WeakPolarHBondContact O-CG2 3.34Å; Y93-I104 HydrophobicContact CD2-CD1 3.81Å; Y93-I104 HydrophobicContact CG-CD1 4.04Å; Y93-L107 HydrophobicContact CD1-CD1 3.3Å; Y93-L107 HydrophobicContact CE1-CD1 3.86Å; Y93-L107 HydrophobicContact CG-CD1 3.83Å; Y93-L120 HydrophobicContact CE1-CD2 3.98Å; Y93-L120 WeakPolarHBondContact OH-CA 3.23Å; Y93-L120 WeakPolarHBondContact OH-CB 3.47Å; Y93-L121 WeakPolarHBondContact CE2-O 3.43Å; Y93-L121 PolarHBondContact OH-N 2.92Å; Y93-L121 VanDerWaalsContact OH-N 3.14Å; Y93-L121 PolarHBondContact OH-O 3.35Å; Y93-E126 VanDerWaalsContact CD2-CD 3.42Å; Y93-E126 HydrophobicContact CD2-CG 3.69Å; Y93-E126 WeakPolarHBondContact CD2-OE1 3.29Å; Y93-E126 HydrophobicContact CE2-CG 4.04Å; Y93-E126 PolarHBondContact N-OE1 2.97Å
94V98.1Very high97.3Very high4 Ų438.7 Ų38.72%0.02419%0.186CC..SBendtrans-108.7178.4-171.9-58.80000111.4H66 I104 H125 N131 F136H66-V94 PolarHBondContact ND1-O 2.98Å; V94-I104 HydrophobicContact CG1-CB 4.07Å; V94-I104 HydrophobicContact CG1-CG1 4.49Å; V94-I104 HydrophobicContact CG1-CG2 4.37Å; V94-H125 HydrophobicContact CG2-CB 4.46Å; V94-N131 HydrophobicContact CG2-CB 4.29Å; V94-F136 HydrophobicContact CB-CB 4.1Å; V94-F136 HydrophobicContact CB-CD1 4.35Å; V94-F136 HydrophobicContact CB-CD2 3.94Å; V94-F136 HydrophobicContact CB-CE2 4.46Å; V94-F136 HydrophobicContact CB-CG 3.87Å; V94-F136 HydrophobicContact CG1-CD1 4.34Å; V94-F136 HydrophobicContact CG1-CD2 3.89Å; V94-F136 HydrophobicContact CG1-CE1 4.35Å; V94-F136 HydrophobicContact CG1-CE2 3.9Å; V94-F136 HydrophobicContact CG1-CG 4.11Å; V94-F136 HydrophobicContact CG1-CZ 4.14Å; V94-F136 HydrophobicContact CG2-CB 4.2Å; V94-F136 HydrophobicContact CG2-CD1 4.25Å; V94-F136 HydrophobicContact CG2-CG 4.13Å
95D96.3Very high97.4Very high0 Ų031.6 Ų31.60%015%0.153CC..SBendtrans67.9162.8-178.1-62.1-40.5000114.5H66 G97 S100 H125 N131 Y134 G135 F136H66-D95 CarbonylContact C-O 3.58Å; H66-D95 VanDerWaalsContact C-O 3.24Å; H66-D95 WeakPolarHBondContact CA-O 3.39Å; H66-D95 WeakPolarHBondContact CB-O 3.15Å; D95-G97 PolarHBondContact O-N 3.31Å; D95-S100 PolarHBondContact N-OG 2.91Å; D95-H125 WeakPolarHBondContact CB-ND1 3.35Å; D95-H125 IonicContact OD2-CE1 3.97Å; D95-H125 IonicContact OD2-CG 3.33Å; D95-H125 IonicContact OD2-ND1 3.84Å; D95-H125 PolarHBondContact OD2-ND1 2.99Å; D95-N131 WeakPolarHBondContact OD1-CA 3.45Å; D95-N131 WeakPolarHBondContact OD2-CA 3.39Å; D95-N131 WeakPolarHBondContact OD2-CB 3.43Å; D95-Y134 WeakPolarHBondContact CB-O 3.25Å; D95-Y134 VanDerWaalsContact OD1-C 3.31Å; D95-G135 PolarHBondContact OD1-N 3.37Å; D95-F136 WeakPolarHBondContact OD1-CB 3.4Å; D95-F136 PolarHBondContact OD1-N 3.5Å
96R93.1Very high97.4Very high170 Ų17030.5 Ų30.564%0.64215%0.145SC*.SBendtrans63.5-35.4176.6-51.7-177.7-179-173.17.4116.2H66 H125 Y134H66-R96 HydrophobicContact CB-CB 4.36Å; R96-H125 PolarHBondContact NH2-NE2 3Å; R96-Y134 PolarHBondContact N-O 3.47Å
97G92.4Very high97.5Very high25 Ų2528.7 Ų28.726%0.25814%0.136SC..SBendtrans-80.8-175.1174.300000113.5H66 D95H66-G97 WeakPolarHBondContact O-CA 3.2Å; H66-G97 PolarHBondContact O-N 2.96Å; D95-G97 PolarHBondContact O-N 3.31Å
98K92.3Very high97.5Very high184 Ų18429.3 Ų29.380%0.814%0.139SC*.SBendtrans-103.5-15.1-174.7-63.6-176.4179.3179.30114.1
99Q97.4Very high97.5Very high8 Ų828.3 Ų28.34%0.03713%0.134CC..  trans-140.454-169.7-64.9-167.4-92.200109.5G25 K26 N27 G67 L101 E102 T103G25-Q99 VanDerWaalsContact CA-OE1 3.27Å; K26-Q99 PolarHBondContact O-NE2 3.14Å; N27-Q99 PolarHBondContact OD1-NE2 3.23Å; G67-Q99 CarbonylContact O-C 3.54Å; G67-Q99 PolarHBondContact O-N 2.61Å; Q99-L101 VanDerWaalsContact C-N 3.3Å; Q99-E102 WeakPolarHBondContact CA-OE2 3.36Å; Q99-E102 WeakPolarHBondContact CB-OE2 3.34Å; Q99-T103 WeakPolarHBondContact O-CB 3.49Å; Q99-T103 PolarHBondContact O-N 2.94Å; Q99-T103 VanDerWaalsContact O-N 3.16Å; Q99-T103 PolarHBondContact O-OG1 3.5Å
100S98.1Very high97.5Very high0 Ų028.5 Ų28.50%014%0.135CC..Hα-helixtrans-66.1-36.8177.7-47.60000110.8D95 T103 I104 E139D95-S100 PolarHBondContact N-OG 2.91Å; S100-T103 WeakPolarHBondContact O-CB 3.34Å; S100-T103 PolarHBondContact O-N 3.4Å; S100-I104 WeakPolarHBondContact O-CG2 3.47Å; S100-I104 PolarHBondContact O-N 3.21Å; S100-E139 WeakPolarHBondContact CB-OE2 3.24Å; S100-E139 PolarHBondContact N-OE1 3.44Å; S100-E139 PolarHBondContact N-OE2 2.92Å; S100-E139 VanDerWaalsContact N-OE2 3.09Å; S100-E139 PolarHBondContact OG-OE2 3.47Å
101L97.9Very high97.5Very high44 Ų4424.7 Ų24.723%0.2312%0.115CC..Hα-helixtrans-61.5-51.9177.9-80.8174000111.6Q99 T103 C105 F136 E139Q99-L101 VanDerWaalsContact C-N 3.3Å; L101-T103 VanDerWaalsContact C-N 3.3Å; L101-T103 PolarHBondContact O-N 2.92Å; L101-C105 WeakPolarHBondContact O-CB 3.49Å; L101-C105 PolarHBondContact O-N 3.23Å; L101-C105 PolarHBondContact O-SG 3.48Å; L101-F136 HydrophobicContact CD2-CE2 3.91Å; L101-F136 HydrophobicContact CD2-CZ 4.29Å; L101-F136 HydrophobicContact CG-CE2 4.22Å; L101-E139 WeakPolarHBondContact CB-OE1 3.32Å; L101-E139 HydrophobicContact CD1-CG 4.11Å; L101-E139 WeakPolarHBondContact CD1-O 2.95Å; L101-E139 HydrophobicContact CG-CG 4.25Å; L101-E139 PolarHBondContact N-OE1 3.2Å
102E98.4Very high97.5Very high13 Ų1326.1 Ų26.16%0.06112%0.122CC..Hα-helixtrans-63.2-39.7177.3-6987.8164.900111.9L16 N27 V28 Y69 Q99 C105 L106L16-E102 HydrophobicContact CD2-CB 4.23Å; L16-E102 HydrophobicContact CD2-CG 4.31Å; N27-E102 WeakPolarHBondContact CA-OE1 3.47Å; N27-E102 VanDerWaalsContact CB-OE1 3.29Å; N27-E102 WeakPolarHBondContact CB-OE1 3.41Å; V28-E102 HydrophobicContact CB-CG 3.91Å; V28-E102 HydrophobicContact CG2-CG 3.94Å; V28-E102 PolarHBondContact N-OE1 3.49Å; Y69-E102 HydrophobicContact CD1-CB 3.76Å; Y69-E102 HydrophobicContact CD1-CG 4.39Å; Y69-E102 HydrophobicContact CD2-CB 3.71Å; Y69-E102 HydrophobicContact CE1-CB 3.86Å; Y69-E102 HydrophobicContact CE1-CG 4.37Å; Y69-E102 HydrophobicContact CE2-CB 3.81Å; Y69-E102 WeakPolarHBondContact CE2-O 3.03Å; Y69-E102 HydrophobicContact CG-CB 3.69Å; Q99-E102 WeakPolarHBondContact CA-OE2 3.36Å; Q99-E102 WeakPolarHBondContact CB-OE2 3.34Å; E102-C105 PolarHBondContact O-N 3.43Å; E102-L106 WeakPolarHBondContact O-CB 3.04Å; E102-L106 PolarHBondContact O-N 3.26Å
103T98.6Very high97.5Very high0 Ų029.3 Ų29.30%014%0.135CC..Hα-helixtrans-57.6-58.5177.2-61.60000110.8I65 G67 L72 Y93 Q99 S100 L101 C105 L106 L107I65-T103 HydrophobicContact CB-CG2 4.2Å; I65-T103 HydrophobicContact CG2-CG2 3.55Å; G67-T103 WeakPolarHBondContact CA-OG1 3.42Å; L72-T103 HydrophobicContact CD2-CG2 4.07Å; Y93-T103 WeakPolarHBondContact O-CG2 3.34Å; Q99-T103 WeakPolarHBondContact O-CB 3.49Å; Q99-T103 PolarHBondContact O-N 2.94Å; Q99-T103 VanDerWaalsContact O-N 3.16Å; Q99-T103 PolarHBondContact O-OG1 3.5Å; S100-T103 WeakPolarHBondContact O-CB 3.34Å; S100-T103 PolarHBondContact O-N 3.4Å; L101-T103 VanDerWaalsContact C-N 3.3Å; L101-T103 PolarHBondContact O-N 2.92Å; T103-C105 PolarHBondContact O-N 3.31Å; T103-L106 PolarHBondContact O-N 3.26Å; T103-L107 HydrophobicContact CG2-CD1 4.19Å; T103-L107 VanDerWaalsContact O-CG 3.27Å; T103-L107 WeakPolarHBondContact O-CG 3.29Å; T103-L107 PolarHBondContact O-N 3.37Å; T103-L107 VanDerWaalsContact O-N 3.17Å
104I98.6Very high97.5Very high28 Ų2831 Ų3114%0.14414%0.142CC..Hα-helixtrans-67.6-36.7-177.9-164.759.5000111.5Y93 V94 S100 L106 L107 L108 F136Y93-I104 HydrophobicContact CD2-CD1 3.81Å; Y93-I104 HydrophobicContact CG-CD1 4.04Å; V94-I104 HydrophobicContact CG1-CB 4.07Å; V94-I104 HydrophobicContact CG1-CG1 4.49Å; V94-I104 HydrophobicContact CG1-CG2 4.37Å; S100-I104 WeakPolarHBondContact O-CG2 3.47Å; S100-I104 PolarHBondContact O-N 3.21Å; I104-L106 PolarHBondContact O-N 2.89Å; I104-L107 PolarHBondContact O-N 2.96Å; I104-L108 HydrophobicContact CD1-CD2 4.45Å; I104-L108 HydrophobicContact CD1-CG 4.32Å; I104-L108 HydrophobicContact CG1-CD1 4.21Å; I104-L108 HydrophobicContact CG1-CG 4.18Å; I104-L108 WeakPolarHBondContact O-CB 3.26Å; I104-L108 VanDerWaalsContact O-CG 3.26Å; I104-L108 WeakPolarHBondContact O-CG 3.45Å; I104-L108 PolarHBondContact O-N 3.32Å; I104-F136 HydrophobicContact CG2-CE2 4.35Å; I104-F136 HydrophobicContact CG2-CZ 4.24Å
105C98.6Very high97.4Very high3 Ų332.6 Ų32.62%0.0215%0.153CC..Hα-helixtrans-61.9-43.1177.9-72.90000112.3L16 L30 L38 L101 E102 T103 A109L16-C105 HydrophobicContact CD1-CB 4.2Å; L16-C105 HydrophobicContact CD2-CB 4.4Å; L30-C105 HydrophobicContact CD1-CB 3.84Å; L38-C105 HydrophobicContact CD1-CB 3.9Å; L101-C105 WeakPolarHBondContact O-CB 3.49Å; L101-C105 PolarHBondContact O-N 3.23Å; L101-C105 PolarHBondContact O-SG 3.48Å; E102-C105 PolarHBondContact O-N 3.43Å; T103-C105 PolarHBondContact O-N 3.31Å; C105-A109 VanDerWaalsContact O-CB 3.25Å; C105-A109 WeakPolarHBondContact O-CB 3.47Å; C105-A109 PolarHBondContact O-N 3.45Å
106L98.7Very high97.5Very high0 Ų038.9 Ų38.90%018%0.182CC..Hα-helixtrans-65.9-43.9177.4-177.860.8000111.7L16 L17 Y69 L72 L73 F76 E102 T103 I104 A109 Y110L16-L106 HydrophobicContact CB-CD1 4.04Å; L16-L106 HydrophobicContact CD1-CB 4.08Å; L16-L106 HydrophobicContact CD1-CD1 4.19Å; L17-L106 HydrophobicContact CD2-CD1 4.18Å; L17-L106 HydrophobicContact CD2-CD2 4.14Å; Y69-L106 HydrophobicContact CE2-CB 4Å; Y69-L106 HydrophobicContact CE2-CD2 3.72Å; L72-L106 HydrophobicContact CD2-CD2 4.31Å; L73-L106 HydrophobicContact CD2-CD2 3.77Å; F76-L106 HydrophobicContact CD2-CD2 4.44Å; F76-L106 HydrophobicContact CE2-CD2 4.08Å; E102-L106 WeakPolarHBondContact O-CB 3.04Å; E102-L106 PolarHBondContact O-N 3.26Å; T103-L106 PolarHBondContact O-N 3.26Å; I104-L106 PolarHBondContact O-N 2.89Å; L106-A109 PolarHBondContact O-N 3.28Å; L106-Y110 HydrophobicContact CD1-CD2 3.9Å; L106-Y110 HydrophobicContact CD1-CE2 3.51Å; L106-Y110 HydrophobicContact CD2-CE2 4.16Å; L106-Y110 HydrophobicContact CG-CD2 3.92Å; L106-Y110 HydrophobicContact CG-CE2 3.73Å; L106-Y110 WeakPolarHBondContact O-CD2 3.25Å; L106-Y110 PolarHBondContact O-N 3.07Å
107L98.8Very high97.7Very high0 Ų033.6 Ų33.60%017%0.166CC..Hα-helixtrans-61.7-44.6177.9-66.1176.8000111.7L72 F76 F89 Y93 T103 I104 Y110 K111 F118 L120L72-L107 HydrophobicContact CD1-CD2 4.21Å; L72-L107 HydrophobicContact CD2-CD2 3.99Å; L72-L107 HydrophobicContact CD2-CG 4.12Å; F76-L107 HydrophobicContact CZ-CD2 4.31Å; F89-L107 HydrophobicContact CD1-CD2 4.35Å; F89-L107 HydrophobicContact CD2-CD2 4.29Å; F89-L107 HydrophobicContact CE1-CD2 4.01Å; F89-L107 HydrophobicContact CE2-CD2 3.96Å; F89-L107 HydrophobicContact CZ-CD2 3.82Å; Y93-L107 HydrophobicContact CD1-CD1 3.3Å; Y93-L107 HydrophobicContact CE1-CD1 3.86Å; Y93-L107 HydrophobicContact CG-CD1 3.83Å; T103-L107 HydrophobicContact CG2-CD1 4.19Å; T103-L107 VanDerWaalsContact O-CG 3.27Å; T103-L107 WeakPolarHBondContact O-CG 3.29Å; T103-L107 PolarHBondContact O-N 3.37Å; T103-L107 VanDerWaalsContact O-N 3.17Å; I104-L107 PolarHBondContact O-N 2.96Å; L107-Y110 PolarHBondContact O-N 3.06Å; L107-K111 WeakPolarHBondContact O-CB 3.44Å; L107-K111 PolarHBondContact O-N 2.99Å; L107-F118 HydrophobicContact CB-CE1 4.43Å; L107-F118 HydrophobicContact CD2-CE1 3.98Å; L107-F118 HydrophobicContact CD2-CZ 3.65Å; L107-F118 WeakPolarHBondContact O-CE1 3.49Å; L107-L120 HydrophobicContact CB-CD1 3.9Å; L107-L120 HydrophobicContact CB-CD2 4.2Å; L107-L120 HydrophobicContact CD1-CD2 4.4Å; L107-L120 HydrophobicContact CD2-CD2 4.27Å
108L98.8Very high98Very high15 Ų1532.4 Ų32.48%0.07915%0.154CC..Hα-helixtrans-66.7-39.1176.1-65.1-175.6000112.1L38 F46 I104 Y110 K111 I112 L120L38-L108 HydrophobicContact CB-CB 4.33Å; L38-L108 HydrophobicContact CB-CD1 4.5Å; F46-L108 HydrophobicContact CE2-CD2 3.98Å; F46-L108 HydrophobicContact CZ-CD2 4.24Å; I104-L108 HydrophobicContact CD1-CD2 4.45Å; I104-L108 HydrophobicContact CD1-CG 4.32Å; I104-L108 HydrophobicContact CG1-CD1 4.21Å; I104-L108 HydrophobicContact CG1-CG 4.18Å; I104-L108 WeakPolarHBondContact O-CB 3.26Å; I104-L108 VanDerWaalsContact O-CG 3.26Å; I104-L108 WeakPolarHBondContact O-CG 3.45Å; I104-L108 PolarHBondContact O-N 3.32Å; L108-Y110 VanDerWaalsContact C-N 3.35Å; L108-Y110 PolarHBondContact O-N 3.34Å; L108-K111 PolarHBondContact O-N 3.35Å; L108-I112 WeakPolarHBondContact O-CD1 3.41Å; L108-I112 VanDerWaalsContact O-CG1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 PolarHBondContact O-N 3.39Å; L108-L120 HydrophobicContact CD2-CD1 4.28Å
109A98.6Very high98.3Very high0 Ų024.3 Ų24.30%012%0.119CC..Hα-helixtrans-63.2-41.8176.900000111.5I12 I13 L38 C105 L106 I112 K113I12-A109 HydrophobicContact CG2-CB 4.44Å; I13-A109 HydrophobicContact CD1-CB 4.13Å; I13-A109 HydrophobicContact CG1-CB 3.59Å; L38-A109 HydrophobicContact CD2-CB 3.84Å; C105-A109 VanDerWaalsContact O-CB 3.25Å; C105-A109 WeakPolarHBondContact O-CB 3.47Å; C105-A109 PolarHBondContact O-N 3.45Å; L106-A109 PolarHBondContact O-N 3.28Å; A109-I112 PolarHBondContact O-N 3.03Å; A109-K113 WeakPolarHBondContact O-CB 3.41Å; A109-K113 PolarHBondContact O-N 3.09Å
110Y98.7Very high98.4Very high5 Ų524.7 Ų24.72%0.0212%0.121CC..Hα-helixtrans-66.6-38.3172.2-79.5-46.7000113I13 F76 F81 P82 L106 L107 L108 I112 K113 Y114 F118I13-Y110 HydrophobicContact CD1-CD1 4.17Å; I13-Y110 HydrophobicContact CD1-CE1 4.32Å; I13-Y110 HydrophobicContact CG2-CE1 4.14Å; F76-Y110 HydrophobicContact CD2-CE2 4.3Å; F76-Y110 HydrophobicContact CE2-CD2 4.25Å; F76-Y110 AromaticContact CE2-CE2 3.89Å; F76-Y110 HydrophobicContact CE2-CE2 3.89Å; F76-Y110 HydrophobicContact CZ-CD2 4.25Å; F76-Y110 HydrophobicContact CZ-CE2 4.23Å; F81-Y110 WeakPolarHBondContact CD1-OH 3.41Å; P82-Y110 HydrophobicContact CB-CD1 3.89Å; P82-Y110 HydrophobicContact CB-CE1 4.03Å; P82-Y110 HydrophobicContact CB-CG 4.34Å; P82-Y110 HydrophobicContact CG-CD1 4.03Å; P82-Y110 HydrophobicContact CG-CD2 4.15Å; P82-Y110 HydrophobicContact CG-CE1 4.11Å; P82-Y110 HydrophobicContact CG-CE2 4.22Å; P82-Y110 HydrophobicContact CG-CG 4.06Å; L106-Y110 HydrophobicContact CD1-CD2 3.9Å; L106-Y110 HydrophobicContact CD1-CE2 3.51Å; L106-Y110 HydrophobicContact CD2-CE2 4.16Å; L106-Y110 HydrophobicContact CG-CD2 3.92Å; L106-Y110 HydrophobicContact CG-CE2 3.73Å; L106-Y110 WeakPolarHBondContact O-CD2 3.25Å; L106-Y110 PolarHBondContact O-N 3.07Å; L107-Y110 PolarHBondContact O-N 3.06Å; L108-Y110 VanDerWaalsContact C-N 3.35Å; L108-Y110 PolarHBondContact O-N 3.34Å; Y110-I112 VanDerWaalsContact C-N 3.27Å; Y110-I112 PolarHBondContact O-N 3.47Å; Y110-K113 PolarHBondContact O-N 3.18Å; Y110-Y114 AromaticContact CD1-CD2 3.83Å; Y110-Y114 HydrophobicContact CD1-CD2 3.83Å; Y110-Y114 AromaticContact CD1-CE2 3.73Å; Y110-Y114 HydrophobicContact CD1-CE2 3.73Å; Y110-Y114 HydrophobicContact CE1-CE2 4.02Å; Y110-Y114 PolarHBondContact O-N 3.01Å; Y110-F118 HydrophobicContact CD2-CE2 4.27Å; Y110-F118 HydrophobicContact CD2-CZ 4.25Å; Y110-F118 HydrophobicContact CG-CE2 4.38Å; Y110-F118 HydrophobicContact CG-CZ 4.5Å
111K98.6Very high98.4Very high1 Ų127.8 Ų27.80%0.00414%0.138CC..Hα-helixtrans-59.5-40.2174-179.157.2179.5170.20112I45 F46 L107 L108 P115 F118 L120I45-K111 HydrophobicContact CG2-CD 4.48Å; F46-K111 HydrophobicContact CE1-CD 4.14Å; F46-K111 HydrophobicContact CE1-CG 3.93Å; F46-K111 HydrophobicContact CZ-CG 3.9Å; L107-K111 WeakPolarHBondContact O-CB 3.44Å; L107-K111 PolarHBondContact O-N 2.99Å; L108-K111 PolarHBondContact O-N 3.35Å; K111-P115 PolarHBondContact NZ-O 3.41Å; K111-P115 VanDerWaalsContact O-CA 3.25Å; K111-P115 WeakPolarHBondContact O-CA 3.43Å; K111-F118 HydrophobicContact CB-CD1 4.38Å; K111-F118 WeakPolarHBondContact CD-O 3.36Å; K111-F118 PolarHBondContact NZ-O 3.42Å; K111-L120 HydrophobicContact CB-CD1 4.23Å
112I98.3Very high98.4Very high31 Ų3134.6 Ų34.616%0.15916%0.16CC..Hα-helixtrans-70.1-42.2177.3-65.6160.7000111.1L7 I9 L38 K41 I45 L108 A109 Y110L7-I112 HydrophobicContact CD2-CD1 4.45Å; I9-I112 HydrophobicContact CD1-CB 4.14Å; I9-I112 HydrophobicContact CD1-CD1 3.87Å; I9-I112 HydrophobicContact CD1-CG2 3.82Å; I9-I112 HydrophobicContact CG1-CG2 3.8Å; L38-I112 HydrophobicContact CB-CD1 4.45Å; L38-I112 HydrophobicContact CD2-CD1 3.81Å; K41-I112 HydrophobicContact CB-CD1 3.75Å; K41-I112 HydrophobicContact CB-CG1 4.1Å; I45-I112 HydrophobicContact CD1-CB 4.22Å; I45-I112 HydrophobicContact CD1-CG1 3.97Å; I45-I112 HydrophobicContact CD1-CG2 4.45Å; L108-I112 WeakPolarHBondContact O-CD1 3.41Å; L108-I112 VanDerWaalsContact O-CG1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 PolarHBondContact O-N 3.39Å; A109-I112 PolarHBondContact O-N 3.03Å; Y110-I112 VanDerWaalsContact C-N 3.27Å; Y110-I112 PolarHBondContact O-N 3.47Å
113K98.1Very high98.4Very high77 Ų7734.8 Ų34.834%0.33517%0.165SC..Hα-helixtrans-73.2-35-176.8-167.3166.5-179.9175.10113.2I9 D10 I13 A109 Y110I9-K113 HydrophobicContact CG2-CB 3.97Å; I9-K113 HydrophobicContact CG2-CD 4.35Å; I9-K113 HydrophobicContact CG2-CG 4.47Å; D10-K113 WeakPolarHBondContact OD1-CE 3.42Å; D10-K113 IonicContact OD1-NZ 3.89Å; D10-K113 PolarHBondContact OD1-NZ 2.84Å; I13-K113 HydrophobicContact CD1-CB 4.04Å; I13-K113 HydrophobicContact CD1-CD 3.5Å; I13-K113 VanDerWaalsContact CD1-CD 3.5Å; I13-K113 HydrophobicContact CD1-CG 4.4Å; A109-K113 WeakPolarHBondContact O-CB 3.41Å; A109-K113 PolarHBondContact O-N 3.09Å; Y110-K113 PolarHBondContact O-N 3.18Å
114Y98.3Very high98.4Very high42 Ų4239.4 Ų39.417%0.16519%0.19CC..  trans-133.262-173.6-50.8-64.2000111.4P82 P83 Y110 E116 N117 F118P82-Y114 HydrophobicContact CB-CD2 3.62Å; P82-Y114 HydrophobicContact CB-CE2 3.84Å; P82-Y114 WeakPolarHBondContact O-CE2 3.29Å; P83-Y114 HydrophobicContact CB-CD1 3.86Å; P83-Y114 HydrophobicContact CB-CE1 3.8Å; P83-Y114 HydrophobicContact CB-CG 4.33Å; P83-Y114 HydrophobicContact CG-CD1 4.33Å; P83-Y114 HydrophobicContact CG-CE1 3.75Å; Y110-Y114 AromaticContact CD1-CD2 3.83Å; Y110-Y114 HydrophobicContact CD1-CD2 3.83Å; Y110-Y114 AromaticContact CD1-CE2 3.73Å; Y110-Y114 HydrophobicContact CD1-CE2 3.73Å; Y110-Y114 HydrophobicContact CE1-CE2 4.02Å; Y110-Y114 PolarHBondContact O-N 3.01Å; Y114-E116 PolarHBondContact O-N 3.47Å; Y114-E116 VanDerWaalsContact O-N 3.11Å; Y114-N117 PolarHBondContact O-N 2.79Å; Y114-N117 VanDerWaalsContact O-N 3.08Å; Y114-F118 WeakPolarHBondContact O-CB 3.49Å; Y114-F118 PolarHBondContact O-N 3.2Å
115P97.9Very high98.3Very high39 Ų3938.2 Ų38.225%0.25318%0.184SC..THydrogen-bonded Turntrans-62.3-24.2-170.624.5-34.6000114.5I45 Q49 K111I45-P115 HydrophobicContact CG2-CB 3.92Å; Q49-P115 PolarHBondContact NE2-O 3.26Å; K111-P115 PolarHBondContact NZ-O 3.41Å; K111-P115 VanDerWaalsContact O-CA 3.25Å; K111-P115 WeakPolarHBondContact O-CA 3.43Å
116E97.4Very high98.3Very high131 Ų13139.8 Ų39.861%0.61219%0.191SC*.THydrogen-bonded Turntrans-99.3-1.1-178.9-54-50.9126.700113.5Q49 Y114 F119Q49-E116 PolarHBondContact NE2-OE1 2.94Å; Y114-E116 PolarHBondContact O-N 3.47Å; Y114-E116 VanDerWaalsContact O-N 3.11Å; E116-F119 VanDerWaalsContact C-CZ 3.46Å; E116-F119 VanDerWaalsContact O-CZ 3.27Å; E116-F119 WeakPolarHBondContact O-CZ 3.2Å
117N97.6Very high98.2Very high59 Ų5941.3 Ų41.332%0.31620%0.201SC..THydrogen-bonded Turntrans-125.8-12.4179.8-57.596.3000112.9N86 Y87 Y114N86-N117 CarbonylContact C-O 3.19Å; N86-N117 WeakPolarHBondContact CA-O 2.86Å; N86-N117 WeakPolarHBondContact OD1-CB 3.1Å; N86-N117 PolarHBondContact OD1-ND2 3.17Å; Y87-N117 PolarHBondContact N-O 3.45Å; Y114-N117 PolarHBondContact O-N 2.79Å; Y114-N117 VanDerWaalsContact O-N 3.08Å
118F98.6Very high98Very high0 Ų045 Ų450%023%0.232CC..EExtended strand (participates in β ladder)trans-128.9119.9-175.5-158.4-91.8000110.4F76 P82 Y87 F89 L107 Y110 K111 Y114 L120F76-F118 AromaticContact CE1-CE2 3.94Å; F76-F118 HydrophobicContact CE1-CE2 3.94Å; F76-F118 HydrophobicContact CE1-CZ 4.38Å; F76-F118 AromaticContact CZ-CE2 3.93Å; F76-F118 HydrophobicContact CZ-CE2 3.93Å; F76-F118 AromaticContact CZ-CZ 3.95Å; F76-F118 HydrophobicContact CZ-CZ 3.95Å; P82-F118 HydrophobicContact CB-CD2 4.2Å; P82-F118 HydrophobicContact CG-CD2 3.6Å; P82-F118 HydrophobicContact CG-CE2 3.64Å; Y87-F118 HydrophobicContact CD2-CD2 4.2Å; Y87-F118 HydrophobicContact CD2-CE2 4.1Å; Y87-F118 HydrophobicContact CG-CD2 4.33Å; Y87-F118 HydrophobicContact CG-CE2 4.06Å; F89-F118 HydrophobicContact CD2-CE1 4.38Å; F89-F118 AromaticContact CD2-CZ 3.96Å; F89-F118 HydrophobicContact CD2-CZ 3.96Å; F89-F118 HydrophobicContact CE2-CE1 4.27Å; F89-F118 AromaticContact CE2-CE2 3.79Å; F89-F118 HydrophobicContact CE2-CE2 3.79Å; F89-F118 AromaticContact CE2-CZ 3.43Å; F89-F118 HydrophobicContact CE2-CZ 3.43Å; F89-F118 VanDerWaalsContact CE2-CZ 3.43Å; F89-F118 HydrophobicContact CZ-CZ 4.27Å; L107-F118 HydrophobicContact CB-CE1 4.43Å; L107-F118 HydrophobicContact CD2-CE1 3.98Å; L107-F118 HydrophobicContact CD2-CZ 3.65Å; L107-F118 WeakPolarHBondContact O-CE1 3.49Å; Y110-F118 HydrophobicContact CD2-CE2 4.27Å; Y110-F118 HydrophobicContact CD2-CZ 4.25Å; Y110-F118 HydrophobicContact CG-CE2 4.38Å; Y110-F118 HydrophobicContact CG-CZ 4.5Å; K111-F118 HydrophobicContact CB-CD1 4.38Å; K111-F118 WeakPolarHBondContact CD-O 3.36Å; K111-F118 PolarHBondContact NZ-O 3.42Å; Y114-F118 WeakPolarHBondContact O-CB 3.49Å; Y114-F118 PolarHBondContact O-N 3.2Å; F118-L120 HydrophobicContact CD1-CD2 4.39Å; F118-L120 HydrophobicContact CD1-CG 4.36Å; F118-L120 HydrophobicContact CE1-CD1 4.37Å; F118-L120 HydrophobicContact CE1-CD2 3.75Å; F118-L120 HydrophobicContact CE1-CG 4.12Å
119F98.8Very high97.8Very high14 Ų1448.3 Ų48.36%0.06126%0.256CS..EExtended strand (participates in β ladder)trans-128.8139.2-170.8-55.6-82.1000110.9L53 L55 Y87 L88 F89 E116L53-F119 HydrophobicContact CD1-CB 4.01Å; L53-F119 HydrophobicContact CD1-CD1 3.88Å; L53-F119 HydrophobicContact CD1-CG 4.28Å; L53-F119 HydrophobicContact CD2-CD1 4.42Å; L55-F119 HydrophobicContact CD1-CB 4.14Å; L55-F119 HydrophobicContact CD1-CD1 4.37Å; L55-F119 HydrophobicContact CD1-CD2 3.77Å; L55-F119 HydrophobicContact CD1-CE2 4.27Å; L55-F119 HydrophobicContact CD1-CG 3.82Å; L55-F119 HydrophobicContact CD2-CD1 3.75Å; L55-F119 HydrophobicContact CD2-CD2 3.9Å; L55-F119 HydrophobicContact CD2-CE1 3.48Å; L55-F119 VanDerWaalsContact CD2-CE1 3.48Å; L55-F119 HydrophobicContact CD2-CE2 3.65Å; L55-F119 HydrophobicContact CD2-CG 3.95Å; L55-F119 HydrophobicContact CD2-CZ 3.43Å; L55-F119 VanDerWaalsContact CD2-CZ 3.43Å; L55-F119 HydrophobicContact CG-CD2 4.49Å; Y87-F119 WeakPolarHBondContact O-CD2 3.33Å; Y87-F119 PolarHBondContact O-N 3.38Å; L88-F119 WeakPolarHBondContact CA-O 3.33Å; L88-F119 HydrophobicContact CD1-CB 3.74Å; F89-F119 PolarHBondContact N-O 3.08Å; E116-F119 VanDerWaalsContact C-CZ 3.46Å; E116-F119 VanDerWaalsContact O-CZ 3.27Å; E116-F119 WeakPolarHBondContact O-CZ 3.2Å
120L98.8Very high97.6Very high16 Ų1650.6 Ų50.68%0.08427%0.268CS..EExtended strand (participates in β ladder)trans-129.9118.5-176.8-62.6177.1000108F46 F89 Y93 L107 L108 K111 F118F46-L120 HydrophobicContact CE1-CB 4.13Å; F46-L120 HydrophobicContact CZ-CB 4.13Å; F46-L120 HydrophobicContact CZ-CD1 4.07Å; F89-L120 HydrophobicContact CB-CD2 3.75Å; F89-L120 HydrophobicContact CD2-CD2 3.8Å; F89-L120 HydrophobicContact CG-CD2 3.93Å; Y93-L120 HydrophobicContact CE1-CD2 3.98Å; Y93-L120 WeakPolarHBondContact OH-CA 3.23Å; Y93-L120 WeakPolarHBondContact OH-CB 3.47Å; L107-L120 HydrophobicContact CB-CD1 3.9Å; L107-L120 HydrophobicContact CB-CD2 4.2Å; L107-L120 HydrophobicContact CD1-CD2 4.4Å; L107-L120 HydrophobicContact CD2-CD2 4.27Å; L108-L120 HydrophobicContact CD2-CD1 4.28Å; K111-L120 HydrophobicContact CB-CD1 4.23Å; F118-L120 HydrophobicContact CD1-CD2 4.39Å; F118-L120 HydrophobicContact CD1-CG 4.36Å; F118-L120 HydrophobicContact CE1-CD1 4.37Å; F118-L120 HydrophobicContact CE1-CD2 3.75Å; F118-L120 HydrophobicContact CE1-CG 4.12Å
121L98.7Very high97.4Very high66 Ų6651.8 Ų51.835%0.34627%0.274SS..  trans-86.5172.6169.8-59.5-173.2000110.8L53 L88 F89 L90 Y93L53-L121 HydrophobicContact CD1-CD2 3.99Å; L88-L121 HydrophobicContact CD1-CD1 4.17Å; L88-L121 HydrophobicContact CD1-CD2 4.07Å; L88-L121 HydrophobicContact CD1-CG 3.76Å; F89-L121 WeakPolarHBondContact O-CB 3.35Å; F89-L121 WeakPolarHBondContact O-CG 3.17Å; F89-L121 PolarHBondContact O-N 3.2Å; L90-L121 HydrophobicContact CD2-CD1 3.92Å; Y93-L121 WeakPolarHBondContact CE2-O 3.43Å; Y93-L121 PolarHBondContact OH-N 2.92Å; Y93-L121 VanDerWaalsContact OH-N 3.14Å; Y93-L121 PolarHBondContact OH-O 3.35Å
122R98.6Very high97.1Very high187 Ų18757 Ų5771%0.70629%0.294SS*.  trans-101119.9178.3-167.5-178.7-176.4-171.70.1109.8E126R122-E126 HydrophobicContact CG-CB 3.87Å; R122-E126 PolarHBondContact NE-O 3.14Å; R122-E126 PolarHBondContact NH2-O 2.88Å
123G98.1Very high96.8Very high16 Ų1661.4 Ų61.417%0.16532%0.316CS..  trans-88.3-179.1168.200000111.7D92 H125 E126D92-G123 WeakPolarHBondContact OD1-CA 3.43Å; G123-H125 VanDerWaalsContact C-N 3.31Å; G123-E126 WeakPolarHBondContact CA-OE2 3.45Å; G123-E126 PolarHBondContact N-OE2 3.36Å
124N97.8Very high96.4Very high98 Ų9863.4 Ų63.452%0.52432%0.323SS..SBendtrans-76.8-20.1179.558.7-88.8000112.6D92 E126 C127D92-N124 PolarHBondContact OD1-N 3.34Å; D92-N124 PolarHBondContact OD2-OD1 3.1Å; N124-E126 VanDerWaalsContact C-N 3.34Å; N124-C127 PolarHBondContact O-SG 3.24Å
125H97.3Very high96.2Very high3 Ų362.6 Ų62.61%0.01433%0.328CS..SBendtrans-77.9-15.6175.1-78-95.4000113.5H66 D92 V94 D95 R96 G123 C127 I130 N131H66-H125 AromaticContact CE1-CD2 3.52Å; H66-H125 AromaticContact CE1-CG 3.81Å; H66-H125 AromaticContact CE1-NE2 3.7Å; D92-H125 WeakPolarHBondContact OD1-CB 3.49Å; D92-H125 IonicContact OD1-CD2 3.76Å; D92-H125 IonicContact OD1-CG 3.58Å; D92-H125 PolarHBondContact OD1-N 3.46Å; D92-H125 IonicContact OD2-CD2 2.74Å; D92-H125 PolarHBondContact OD2-CD2 3.42Å; V94-H125 HydrophobicContact CG2-CB 4.46Å; D95-H125 WeakPolarHBondContact CB-ND1 3.35Å; D95-H125 IonicContact OD2-CE1 3.97Å; D95-H125 IonicContact OD2-CG 3.33Å; D95-H125 IonicContact OD2-ND1 3.84Å; D95-H125 PolarHBondContact OD2-ND1 2.99Å; R96-H125 PolarHBondContact NH2-NE2 3Å; G123-H125 VanDerWaalsContact C-N 3.31Å; H125-C127 PolarHBondContact O-N 3.01Å; H125-I130 HydrophobicContact CB-CG2 4.41Å; H125-I130 WeakPolarHBondContact ND1-CG2 3.47Å; H125-N131 WeakPolarHBondContact O-CB 3.28Å; H125-N131 PolarHBondContact O-ND2 3.23Å
126E97.6Very high96.2Very high36 Ų3662.7 Ų62.717%0.16832%0.324CS..SBendtrans-81.944.6172.8-70.170.2-127.100112.5D92 Y93 R122 G123 N124D92-E126 WeakPolarHBondContact CA-OE1 3.21Å; D92-E126 PolarHBondContact N-OE1 3.43Å; D92-E126 PolarHBondContact N-OE2 2.96Å; Y93-E126 VanDerWaalsContact CD2-CD 3.42Å; Y93-E126 HydrophobicContact CD2-CG 3.69Å; Y93-E126 WeakPolarHBondContact CD2-OE1 3.29Å; Y93-E126 HydrophobicContact CE2-CG 4.04Å; Y93-E126 PolarHBondContact N-OE1 2.97Å; R122-E126 HydrophobicContact CG-CB 3.87Å; R122-E126 PolarHBondContact NE-O 3.14Å; R122-E126 PolarHBondContact NH2-O 2.88Å; G123-E126 WeakPolarHBondContact CA-OE2 3.45Å; G123-E126 PolarHBondContact N-OE2 3.36Å; N124-E126 VanDerWaalsContact C-N 3.34Å
127C96.2Very high96.1Very high32 Ų3262.2 Ų62.222%0.21632%0.317CS..SBendtrans-142144.7172.177.30000112.5N124 H125 S129 I130 N131N124-C127 PolarHBondContact O-SG 3.24Å; H125-C127 PolarHBondContact O-N 3.01Å; C127-S129 VanDerWaalsContact C-N 3.29Å; C127-S129 PolarHBondContact O-N 3.49Å; C127-S129 PolarHBondContact SG-OG 3.46Å; C127-I130 PolarHBondContact O-N 3.31Å; C127-I130 VanDerWaalsContact O-N 3.11Å; C127-I130 WeakPolarHBondContact SG-CG1 3.46Å; C127-N131 PolarHBondContact O-N 3.11Å; C127-N131 PolarHBondContact O-ND2 2.92Å; C127-N131 PolarHBondContact O-OD1 3.48Å
128A95.9Very high96Very high77 Ų7765 Ų6564%0.63633%0.332SS*.Hα-helixtrans-58.1-37.3-17200000113.6I130 N131 R132A128-I130 VanDerWaalsContact C-N 3.28Å; A128-I130 PolarHBondContact O-N 3.12Å; A128-N131 WeakPolarHBondContact CA-OD1 3.11Å; A128-N131 PolarHBondContact O-OD1 3.38Å; A128-R132 WeakPolarHBondContact O-CB 3.4Å; A128-R132 PolarHBondContact O-N 2.98Å; A128-R132 VanDerWaalsContact O-N 3.11Å
129S94.3Very high95.8Very high85 Ų8567.5 Ų67.559%0.59434%0.344SS*.Hα-helixtrans-65.5-31.2-179.348.90000113.4C127 I133C127-S129 VanDerWaalsContact C-N 3.29Å; C127-S129 PolarHBondContact O-N 3.49Å; C127-S129 PolarHBondContact SG-OG 3.46Å; S129-I133 WeakPolarHBondContact O-CD1 3.48Å
130I94.6Very high95.5Very high47 Ų4772.4 Ų72.424%0.24138%0.379CS..Hα-helixtrans-88.9-54.2-178.4-63.3-62000109.1H125 C127 A128 R132 I133 Y134H125-I130 HydrophobicContact CB-CG2 4.41Å; H125-I130 WeakPolarHBondContact ND1-CG2 3.47Å; C127-I130 PolarHBondContact O-N 3.31Å; C127-I130 VanDerWaalsContact O-N 3.11Å; C127-I130 WeakPolarHBondContact SG-CG1 3.46Å; A128-I130 VanDerWaalsContact C-N 3.28Å; A128-I130 PolarHBondContact O-N 3.12Å; I130-R132 PolarHBondContact O-N 3.12Å; I130-R132 VanDerWaalsContact O-N 3.12Å; I130-I133 PolarHBondContact O-N 3.42Å; I130-Y134 HydrophobicContact CD1-CE2 4.41Å; I130-Y134 HydrophobicContact CG2-CD2 3.65Å; I130-Y134 HydrophobicContact CG2-CE2 4.1Å; I130-Y134 VanDerWaalsContact O-CD2 3.26Å; I130-Y134 WeakPolarHBondContact O-CD2 3.48Å; I130-Y134 PolarHBondContact O-N 2.87Å
131N93.6Very high95.3Very high30 Ų3075.3 Ų75.316%0.1639%0.394CS..Hα-helixtrans-72.1-9.7-174.772.221.8000114.8V94 D95 H125 C127 A128 I133 F136 Y137V94-N131 HydrophobicContact CG2-CB 4.29Å; D95-N131 WeakPolarHBondContact OD1-CA 3.45Å; D95-N131 WeakPolarHBondContact OD2-CA 3.39Å; D95-N131 WeakPolarHBondContact OD2-CB 3.43Å; H125-N131 WeakPolarHBondContact O-CB 3.28Å; H125-N131 PolarHBondContact O-ND2 3.23Å; C127-N131 PolarHBondContact O-N 3.11Å; C127-N131 PolarHBondContact O-ND2 2.92Å; C127-N131 PolarHBondContact O-OD1 3.48Å; A128-N131 WeakPolarHBondContact CA-OD1 3.11Å; A128-N131 PolarHBondContact O-OD1 3.38Å; N131-I133 VanDerWaalsContact C-N 3.27Å; N131-F136 HydrophobicContact CB-CB 3.96Å; N131-F136 HydrophobicContact CB-CD1 4.35Å; N131-F136 PolarHBondContact O-N 3.06Å; N131-Y137 PolarHBondContact O-N 3.21Å
132R92Very high95.1Very high112 Ų11275.7 Ų75.742%0.42340%0.396SS..THydrogen-bonded Turntrans-67.2-28166.9-176.864.1-177.8102.1-14.6113.5A128 I130 Y137 D138A128-R132 WeakPolarHBondContact O-CB 3.4Å; A128-R132 PolarHBondContact O-N 2.98Å; A128-R132 VanDerWaalsContact O-N 3.11Å; I130-R132 PolarHBondContact O-N 3.12Å; I130-R132 VanDerWaalsContact O-N 3.12Å; R132-Y137 VanDerWaalsContact CD-CG 3.43Å; R132-Y137 VanDerWaalsContact NH1-CG 3.31Å; R132-Y137 VanDerWaalsContact NH2-CZ 3.26Å; R132-Y137 PolarHBondContact NH2-OH 3.29Å; R132-D138 IonicContact NH1-OD1 3.6Å
133I92.3Very high94.9Very high122 Ų12269.6 Ų69.663%0.62638%0.379SS*.THydrogen-bonded Turntrans-108.1-32.5-168.6-53.6174.9000111.3S129 I130 N131S129-I133 WeakPolarHBondContact O-CD1 3.48Å; I130-I133 PolarHBondContact O-N 3.42Å; N131-I133 VanDerWaalsContact C-N 3.27Å
134Y90.8Very high94.7Very high119 Ų11972.7 Ų72.747%0.46739%0.392SS..SBendtrans-99.311.5-170-66.7-72.7000115.3D95 R96 I130D95-Y134 WeakPolarHBondContact CB-O 3.25Å; D95-Y134 VanDerWaalsContact OD1-C 3.31Å; R96-Y134 PolarHBondContact N-O 3.47Å; I130-Y134 HydrophobicContact CD1-CE2 4.41Å; I130-Y134 HydrophobicContact CG2-CD2 3.65Å; I130-Y134 HydrophobicContact CG2-CE2 4.1Å; I130-Y134 VanDerWaalsContact O-CD2 3.26Å; I130-Y134 WeakPolarHBondContact O-CD2 3.48Å; I130-Y134 PolarHBondContact O-N 2.87Å
135G93.6Very high94.5Very high26 Ų2671.1 Ų71.127%0.26838%0.383SS..SBendtrans126.9-28.5161.200000115.2D95 Y137 D138 E139D95-G135 PolarHBondContact OD1-N 3.37Å; G135-Y137 VanDerWaalsContact C-N 3.34Å; G135-Y137 PolarHBondContact O-N 2.88Å; G135-D138 PolarHBondContact O-N 2.88Å; G135-D138 VanDerWaalsContact O-N 3.07Å; G135-E139 PolarHBondContact O-N 3.41Å
136F96.9Very high94.4Very high40 Ų4075.7 Ų75.718%0.17541%0.408CS..Hα-helixtrans-64-38.7-172.6-173.8-127.1000113.1V94 D95 L101 I104 N131 D138 E139 C140V94-F136 HydrophobicContact CB-CB 4.1Å; V94-F136 HydrophobicContact CB-CD1 4.35Å; V94-F136 HydrophobicContact CB-CD2 3.94Å; V94-F136 HydrophobicContact CB-CE2 4.46Å; V94-F136 HydrophobicContact CB-CG 3.87Å; V94-F136 HydrophobicContact CG1-CD1 4.34Å; V94-F136 HydrophobicContact CG1-CD2 3.89Å; V94-F136 HydrophobicContact CG1-CE1 4.35Å; V94-F136 HydrophobicContact CG1-CE2 3.9Å; V94-F136 HydrophobicContact CG1-CG 4.11Å; V94-F136 HydrophobicContact CG1-CZ 4.14Å; V94-F136 HydrophobicContact CG2-CB 4.2Å; V94-F136 HydrophobicContact CG2-CD1 4.25Å; V94-F136 HydrophobicContact CG2-CG 4.13Å; D95-F136 WeakPolarHBondContact OD1-CB 3.4Å; D95-F136 PolarHBondContact OD1-N 3.5Å; L101-F136 HydrophobicContact CD2-CE2 3.91Å; L101-F136 HydrophobicContact CD2-CZ 4.29Å; L101-F136 HydrophobicContact CG-CE2 4.22Å; I104-F136 HydrophobicContact CG2-CE2 4.35Å; I104-F136 HydrophobicContact CG2-CZ 4.24Å; N131-F136 HydrophobicContact CB-CB 3.96Å; N131-F136 HydrophobicContact CB-CD1 4.35Å; N131-F136 PolarHBondContact O-N 3.06Å; F136-D138 VanDerWaalsContact C-N 3.3Å; F136-D138 PolarHBondContact O-N 2.65Å; F136-E139 PolarHBondContact O-N 2.96Å; F136-C140 PolarHBondContact O-N 3.33Å; F136-C140 VanDerWaalsContact O-N 3.09Å; F136-C140 PolarHBondContact O-SG 3.24Å
137Y95.9Very high94.1Very high121 Ų12178.5 Ų78.548%0.47543%0.425SS..Hα-helixtrans-62.2-38.9175.2179.9-76000112.2N131 R132 G135 E139 C140N131-Y137 PolarHBondContact O-N 3.21Å; R132-Y137 VanDerWaalsContact CD-CG 3.43Å; R132-Y137 VanDerWaalsContact NH1-CG 3.31Å; R132-Y137 VanDerWaalsContact NH2-CZ 3.26Å; R132-Y137 PolarHBondContact NH2-OH 3.29Å; G135-Y137 VanDerWaalsContact C-N 3.34Å; G135-Y137 PolarHBondContact O-N 2.88Å; Y137-E139 VanDerWaalsContact C-N 3.27Å; Y137-C140 PolarHBondContact O-N 3.28Å
138D94.9Very high94Very high118 Ų11882.1 Ų82.163%0.63144%0.441SS*.Hα-helixtrans-75.9-21.6-178.4-60-33000111.7R132 G135 F136R132-D138 IonicContact NH1-OD1 3.6Å; G135-D138 PolarHBondContact O-N 2.88Å; G135-D138 VanDerWaalsContact O-N 3.07Å; F136-D138 VanDerWaalsContact C-N 3.3Å; F136-D138 PolarHBondContact O-N 2.65Å
139E95.2Very high93.8Very high53 Ų5382.5 Ų82.525%0.24843%0.425CS..Hα-helixtrans-76.9-29.3172-162.6-176.1143.700112.7S100 L101 G135 F136 Y137S100-E139 WeakPolarHBondContact CB-OE2 3.24Å; S100-E139 PolarHBondContact N-OE1 3.44Å; S100-E139 PolarHBondContact N-OE2 2.92Å; S100-E139 VanDerWaalsContact N-OE2 3.09Å; S100-E139 PolarHBondContact OG-OE2 3.47Å; L101-E139 WeakPolarHBondContact CB-OE1 3.32Å; L101-E139 HydrophobicContact CD1-CG 4.11Å; L101-E139 WeakPolarHBondContact CD1-O 2.95Å; L101-E139 HydrophobicContact CG-CG 4.25Å; L101-E139 PolarHBondContact N-OE1 3.2Å; G135-E139 PolarHBondContact O-N 3.41Å; F136-E139 PolarHBondContact O-N 2.96Å; Y137-E139 VanDerWaalsContact C-N 3.27Å
140C91.7Very high93.8Very high117 Ų11782.3 Ų82.379%0.79141%0.409SS*.  trans-80.60178.8-67.90000113.2F136 Y137F136-C140 PolarHBondContact O-N 3.33Å; F136-C140 VanDerWaalsContact O-N 3.09Å; F136-C140 PolarHBondContact O-SG 3.24Å; Y137-C140 PolarHBondContact O-N 3.28Å

Retrieved 140 of 140 residues in 1093.8 ms (Link to these results)

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